 Entering Gaussian System, Link 0=g16
 Input=36d_RhEn3-ob3_STD_M11-def2SVPDr.in
 Output=36d_RhEn3-ob3_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/36d_RhEn3-ob3_STD/Gau-47413.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/36d_RhEn3-ob3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     47417.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36d_RhEn3-ob3_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:32:04 2021, MaxMem= 10737418240 cpu:               2.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36d_RhEn3-ob3_STD_M11-def2SVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.888503000000     -2.283626000000      0.346441000000
  C                                                -2.701393000000     -1.217376000000     -0.346813000000
  N                                                -1.764324000000     -0.337100000000     -1.129343000000
  Rh                                                0.000137000000     -0.000290000000      0.000013000000
  N                                                -0.791312000000     -1.612960000000      1.128524000000
  N                                                 1.791723000000      0.121006000000      1.129851000000
  C                                                 2.921909000000     -0.491806000000      0.347289000000
  C                                                 2.406559000000     -1.729107000000     -0.346832000000
  N                                                 1.175543000000     -1.358466000000     -1.129476000000
  N                                                 0.590741000000      1.696308000000     -1.128278000000
  C                                                 0.295422000000      2.947860000000     -0.346258000000
  C                                                -1.034809000000      2.775943000000      0.346020000000
  N                                                -1.002175000000      1.490800000000      1.128835000000
  H                                                 2.129415000000     -2.500430000000      0.372568000000
  H                                                 3.162755000000     -2.156588000000     -1.006173000000
  H                                                 3.274326000000      0.248135000000     -0.372189000000
  H                                                 3.757967000000     -0.727492000000      1.006648000000
  H                                                 1.100920000000      3.093573000000      0.374343000000
  H                                                 0.288614000000      3.816420000000     -1.005696000000
  H                                                -1.850762000000      2.711245000000     -0.374670000000
  H                                                -1.249471000000      3.617991000000      1.004939000000
  H                                                -3.229730000000     -0.591602000000      0.373293000000
  H                                                -3.450537000000     -1.657262000000     -1.006036000000
  H                                                -1.425273000000     -2.959234000000     -0.373430000000
  H                                                -2.511055000000     -2.889142000000      1.006049000000
  H                                                -0.108747000000     -2.318114000000      1.404588000000
  H                                                -1.178462000000     -1.274245000000      2.009660000000
  H                                                -2.263642000000      0.507788000000     -1.405377000000
  H                                                -1.540523000000     -0.800167000000     -2.010547000000
  H                                                -1.954196000000      1.251545000000      1.404096000000
  H                                                -0.516258000000      1.657364000000      2.010418000000
  H                                                 1.572245000000      1.706926000000     -1.403733000000
  H                                                 0.078341000000      1.733532000000     -2.009807000000
  H                                                 2.059772000000      1.064893000000      1.406565000000
  H                                                 1.692659000000     -0.384485000000      2.010616000000
  H                                                 0.694313000000     -2.213552000000     -1.406187000000
  H                                                 1.464666000000     -0.932467000000     -2.010390000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 17:32:04 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888503   -2.283626    0.346441
      2          6           0       -2.701393   -1.217376   -0.346813
      3          7           0       -1.764324   -0.337100   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791312   -1.612960    1.128524
      6          7           0        1.791723    0.121006    1.129851
      7          6           0        2.921909   -0.491806    0.347289
      8          6           0        2.406559   -1.729107   -0.346832
      9          7           0        1.175543   -1.358466   -1.129476
     10          7           0        0.590741    1.696308   -1.128278
     11          6           0        0.295422    2.947860   -0.346258
     12          6           0       -1.034809    2.775943    0.346020
     13          7           0       -1.002175    1.490800    1.128835
     14          1           0        2.129415   -2.500430    0.372568
     15          1           0        3.162755   -2.156588   -1.006173
     16          1           0        3.274326    0.248135   -0.372189
     17          1           0        3.757967   -0.727492    1.006648
     18          1           0        1.100920    3.093573    0.374343
     19          1           0        0.288614    3.816420   -1.005696
     20          1           0       -1.850762    2.711245   -0.374670
     21          1           0       -1.249471    3.617991    1.004939
     22          1           0       -3.229730   -0.591602    0.373293
     23          1           0       -3.450537   -1.657262   -1.006036
     24          1           0       -1.425273   -2.959234   -0.373430
     25          1           0       -2.511055   -2.889142    1.006049
     26          1           0       -0.108747   -2.318114    1.404588
     27          1           0       -1.178462   -1.274245    2.009660
     28          1           0       -2.263642    0.507788   -1.405377
     29          1           0       -1.540523   -0.800167   -2.010547
     30          1           0       -1.954196    1.251545    1.404096
     31          1           0       -0.516258    1.657364    2.010418
     32          1           0        1.572245    1.706926   -1.403733
     33          1           0        0.078341    1.733532   -2.009807
     34          1           0        2.059772    1.064893    1.406565
     35          1           0        1.692659   -0.384485    2.010616
     36          1           0        0.694313   -2.213552   -1.406187
     37          1           0        1.464666   -0.932467   -2.010390
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509397   0.000000
     3  N    2.445879   1.505104   0.000000
     4  Rh   2.983387   2.983262   2.121841   0.000000
     5  N    1.505083   2.445714   2.769934   2.121470   0.000000
     6  N    4.465428   4.915272   4.237840   2.121562   3.111062
     7  C    5.133292   5.712246   4.915807   2.983109   3.956681
     8  C    4.385850   5.133521   4.466125   2.983283   3.523712
     9  N    3.524575   3.957664   3.112235   2.121784   3.005304
    10  N    4.915417   4.465242   3.111443   2.121391   4.237273
    11  C    5.711200   5.131286   3.955596   2.983066   4.914982
    12  C    5.131085   4.382250   3.521353   2.983002   4.464759
    13  N    3.955251   3.521235   3.003574   2.121843   3.110915
    14  H    4.023848   5.049796   4.700738   3.305045   3.144792
    15  H    5.230766   5.975375   5.253743   3.957800   4.526269
    16  H    5.794916   6.152852   5.128721   3.304628   4.716485
    17  H    5.894069   6.617792   5.933849   3.957704   4.636254
    18  H    6.152373   5.793266   4.715953   3.305122   5.128429
    19  H    6.616545   5.891805   4.634822   3.957518   5.932900
    20  H    5.046797   4.019753   3.141562   3.304336   4.699019
    21  H    5.972526   5.226479   4.523602   3.957696   5.252431
    22  H    2.159295   1.090544   2.114261   3.304698   2.749441
    23  H    2.159045   1.090546   2.145075   3.957884   3.410247
    24  H    1.090524   2.159458   2.749899   3.305541   2.114291
    25  H    1.090552   2.158996   3.410341   3.957734   2.145031
    26  H    2.070844   3.316752   3.617480   2.712378   1.019484
    27  H    2.071064   2.806335   3.327884   2.655323   1.020301
    28  H    3.316864   2.070839   1.019485   2.712556   3.617455
    29  H    2.806623   2.071157   1.020313   2.656273   3.328020
    30  H    3.690580   3.117620   2.996357   2.712556   3.103809
    31  H    4.492580   4.312248   3.923475   2.656353   3.398295
    32  H    5.564566   5.285130   3.922502   2.712308   4.797955
    33  H    5.055486   4.381818   2.908290   2.655491   4.669521
    34  H    5.284441   5.563432   4.797929   2.712029   3.921337
    35  H    4.381887   5.055578   4.670366   2.656080   2.908152
    36  H    3.122107   3.693976   3.105255   2.712528   2.998758
    37  H    4.315556   4.494965   3.399571   2.656223   3.924957
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.505079   0.000000
     8  C    2.445718   1.509405   0.000000
     9  N    2.770031   2.445757   1.505094   0.000000
    10  N    3.003844   3.521290   3.954911   3.110247   0.000000
    11  C    3.522629   4.383006   5.131366   4.464581   1.505042
    12  C    3.956307   5.131647   5.711264   4.914884   2.445727
    13  N    3.111624   4.465420   4.915777   4.238011   2.770230
    14  H    2.749444   2.159457   1.090543   2.114259   4.715153
    15  H    3.410244   2.159020   1.090552   2.145044   4.634110
    16  H    2.114331   1.090577   2.159432   2.749462   3.141736
    17  H    2.145051   1.090548   2.159038   3.410288   4.523719
    18  H    3.143908   4.021402   5.048072   4.699754   2.114356
    19  H    4.525039   5.227392   5.972660   5.251801   2.145037
    20  H    4.715996   5.793026   6.151608   5.127456   2.749356
    21  H    4.636094   5.892652   6.617046   5.933089   3.410258
    22  H    5.127883   6.152503   5.794847   4.717290   4.699494
    23  H    5.933426   6.617994   5.894513   4.637363   5.252933
    24  H    4.700723   5.050310   4.024532   3.146158   5.129150
    25  H    5.252639   5.974804   5.230573   4.527079   5.933198
    26  H    3.104283   3.692988   3.121084   2.998634   4.797945
    27  H    3.397468   4.493187   4.314201   3.924616   4.669145
    28  H    4.798225   5.564258   5.285357   3.922629   3.104330
    29  H    4.670602   5.056459   4.382959   2.909467   3.398981
    30  H    3.922402   5.285122   5.564730   4.798584   3.617656
    31  H    2.909050   4.382456   5.056449   4.670798   3.328419
    32  H    2.997059   3.118027   3.690453   3.103098   1.019479
    33  H    3.923439   4.312066   4.491765   3.396953   1.020310
    34  H    1.019482   2.070907   3.316790   3.617462   2.997026
    35  H    1.020334   2.071046   2.806283   3.328096   3.923847
    36  H    3.617452   3.316816   2.070919   1.019472   3.921092
    37  H    3.328346   2.806491   2.071044   1.020332   2.907288
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509410   0.000000
    13  N    2.445952   1.505143   0.000000
    14  H    5.793454   6.152490   5.129202   0.000000
    15  H    5.891729   6.616482   5.933662   1.756971   0.000000
    16  H    4.020330   5.047205   4.699548   3.069217   2.489393
    17  H    5.227598   5.973373   5.253066   2.489488   2.539299
    18  H    1.090562   2.159405   2.749754   5.687765   5.806994
    19  H    1.090551   2.158976   3.410406   6.722407   6.628538
    20  H    2.159375   1.090577   2.114264   6.600131   7.016406
    21  H    2.159051   1.090550   2.145098   7.017965   7.540429
    22  H    5.047003   4.019799   3.141535   5.688942   6.724282
    23  H    5.972827   5.226577   4.523543   5.809247   6.632116
    24  H    6.152665   5.793300   4.715784   3.660986   4.700490
    25  H    6.616316   5.891361   4.634187   4.699612   6.064470
    26  H    5.564108   5.284655   3.921999   2.471371   4.067012
    27  H    5.054587   4.380908   2.907302   3.889171   5.359099
    28  H    3.691137   3.118004   2.996638   5.613325   6.058387
    29  H    4.493135   4.312507   3.923527   4.694526   4.996946
    30  H    3.316927   2.070890   1.019488   5.640678   6.603632
    31  H    2.806800   2.071312   1.020317   5.193206   6.097638
    32  H    2.070857   3.316800   3.617769   4.600818   4.196965
    33  H    2.071017   2.806358   3.328289   5.273429   5.064970
    34  H    3.119437   3.691731   3.103877   3.712887   4.173226
    35  H    4.314122   4.494248   3.399465   2.711306   3.795069
    36  H    5.284197   5.563735   4.798607   2.303429   2.501292
    37  H    4.381028   5.054933   4.670360   2.928974   2.321730
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756971   0.000000
    18  H    3.657529   4.696834   0.000000
    19  H    4.695579   6.060782   1.756945   0.000000
    20  H    5.686250   6.722410   3.069140   2.489284   0.000000
    21  H    5.806647   6.630057   2.489378   2.539239   1.757003
    22  H    6.600276   7.017657   5.686391   5.806119   3.656474
    23  H    7.018268   7.541744   6.722473   6.628910   4.694865
    24  H    5.689767   5.809584   6.601310   7.017596   5.686420
    25  H    6.724037   6.631242   7.017000   7.539882   5.805748
    26  H    4.603016   4.199989   5.640129   6.603020   5.612025
    27  H    5.274293   5.066883   5.191115   6.095864   4.692670
    28  H    5.639502   6.603299   4.601518   4.197714   2.467397
    29  H    5.192873   6.097765   5.275048   5.066394   3.886175
    30  H    5.612438   6.058330   3.713111   4.173234   2.303352
    31  H    4.693748   4.996408   2.711955   3.795561   2.929200
    32  H    2.467637   4.063706   2.303582   2.501221   3.712762
    33  H    3.886196   5.356798   2.929087   2.321826   2.711279
    34  H    2.303519   2.501288   2.469903   4.065330   4.601690
    35  H    2.929102   2.321875   3.889014   5.358832   5.275317
    36  H    3.712886   4.173263   5.612592   6.056860   5.638711
    37  H    2.711530   3.795229   4.693427   4.994441   5.190788
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.694792   0.000000
    23  H    6.059456   1.756968   0.000000
    24  H    6.722403   3.069095   2.489381   0.000000
    25  H    6.628301   2.489089   2.539417   1.756928   0.000000
    26  H    6.057913   3.712809   4.173176   2.303394   2.501198
    27  H    4.994845   2.711346   3.795188   2.929031   2.321838
    28  H    4.063438   2.303400   2.501127   3.713222   4.173167
    29  H    5.357050   2.929098   2.322027   2.712011   3.795471
    30  H    2.501206   2.467130   4.063118   4.601089   4.196882
    31  H    2.322207   3.885995   5.356840   5.274658   5.065441
    32  H    4.173242   5.612488   6.058404   5.640894   6.603350
    33  H    3.795124   4.693479   4.995800   5.192363   6.096677
    34  H    4.198893   5.638303   6.602596   5.613156   6.057001
    35  H    5.068267   5.191689   6.096935   4.694093   4.995365
    36  H    6.602933   4.603845   4.201114   2.472908   4.068131
    37  H    6.096345   5.275935   5.068853   3.890909   5.360395
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.612472   0.000000
    28  H    4.530474   4.001966   0.000000
    29  H    4.002161   4.064222   1.612414   0.000000
    30  H    4.018476   2.710735   2.922682   4.005051   0.000000
    31  H    4.041970   3.005469   4.005313   4.822524   1.612446
    32  H    5.187808   5.301417   4.018951   4.042655   4.530680
    33  H    5.301786   5.175171   2.711580   3.006718   4.002281
    34  H    4.018360   4.039981   5.187417   5.302568   4.018306
    35  H    2.711320   3.005829   5.302592   5.176486   4.042773
    36  H    2.925114   4.007193   4.019352   2.712453   5.188370
    37  H    4.007209   4.823250   4.042358   3.008100   5.302569
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.002590   0.000000
    33  H    4.064672   1.612384   0.000000
    34  H    2.711382   2.923639   4.005589   0.000000
    35  H    3.008066   4.005781   4.822429   1.612559   0.000000
    36  H    5.303080   4.017576   4.040204   4.530370   4.002090
    37  H    5.176696   2.710351   3.004904   4.002397   4.064573
                   36         37
    36  H    0.000000
    37  H    1.612353   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.30D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888523   -2.283610    0.346441
      2          6           0       -2.701404   -1.217353   -0.346813
      3          7           0       -1.764327   -0.337085   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791326   -1.612953    1.128524
      6          7           0        1.791724    0.120990    1.129851
      7          6           0        2.921905   -0.491832    0.347289
      8          6           0        2.406544   -1.729128   -0.346832
      9          7           0        1.175531   -1.358476   -1.129476
     10          7           0        0.590756    1.696303   -1.128278
     11          6           0        0.295448    2.947857   -0.346258
     12          6           0       -1.034785    2.775952    0.346020
     13          7           0       -1.002162    1.490809    1.128835
     14          1           0        2.129393   -2.500449    0.372568
     15          1           0        3.162736   -2.156616   -1.006173
     16          1           0        3.274328    0.248106   -0.372189
     17          1           0        3.757961   -0.727525    1.006648
     18          1           0        1.100947    3.093563    0.374343
     19          1           0        0.288647    3.816417   -1.005696
     20          1           0       -1.850738    2.711261   -0.374670
     21          1           0       -1.249439    3.618002    1.004939
     22          1           0       -3.229735   -0.591574    0.373293
     23          1           0       -3.450551   -1.657232   -1.006036
     24          1           0       -1.425299   -2.959222   -0.373430
     25          1           0       -2.511080   -2.889120    1.006049
     26          1           0       -0.108767   -2.318113    1.404588
     27          1           0       -1.178473   -1.274235    2.009660
     28          1           0       -2.263637    0.507808   -1.405377
     29          1           0       -1.540530   -0.800154   -2.010547
     30          1           0       -1.954185    1.251562    1.404096
     31          1           0       -0.516243    1.657368    2.010418
     32          1           0        1.572260    1.706912   -1.403733
     33          1           0        0.078356    1.733531   -2.009807
     34          1           0        2.059781    1.064875    1.406565
     35          1           0        1.692656   -0.384500    2.010616
     36          1           0        0.694294   -2.213558   -1.406187
     37          1           0        1.464658   -0.932480   -2.010390
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7090961           0.7085638           0.4562113
 Leave Link  202 at Fri Jul 23 17:32:05 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 3 1.00
     Exponent=  7.9177440000D+00 Coefficients=  1.4014042010D+00
     Exponent=  6.8412070000D+00 Coefficients= -1.7975072656D+00
     Exponent=  2.9598400000D+00 Coefficients= -1.6225754497D-01
 S 1 1.00
     Exponent=  1.3166643441D+00 Coefficients=  8.7495110714D-01
 S 1 1.00
     Exponent=  5.6907152172D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0059695193D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7071460798D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.1360790000D+00 Coefficients= -5.5183328018D-01
     Exponent=  2.9462810000D+00 Coefficients=  6.1370533515D-01
     Exponent=  1.0792431924D+00 Coefficients=  6.4005434538D-01
     Exponent=  4.6611217769D-01 Coefficients=  2.5958050755D-01
 P 1 1.00
     Exponent=  1.7453169991D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.4600000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  6.8847131641D+00 Coefficients= -1.5962387985D-02
     Exponent=  2.3837304391D+00 Coefficients=  2.3047555829D-01
     Exponent=  1.0184384022D+00 Coefficients=  4.4075804028D-01
     Exponent=  3.9957494644D-01 Coefficients=  3.9567661996D-01
 D 1 1.00
     Exponent=  1.3951120264D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   466 symmetry adapted basis functions of A   symmetry.
   466 basis functions,   692 primitive gaussians,   495 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.5355266150 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 17:32:07 2021, MaxMem= 10737418240 cpu:              22.9 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20710 LenP2D=   45897.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   466 RedAO= T EigKep=  1.13D-05  NBF=   466
 NBsUse=   466 1.00D-06 EigRej= -1.00D+00 NBFU=   466
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   495   495   495   495   495 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul 23 17:32:08 2021, MaxMem= 10737418240 cpu:              20.6 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:32:09 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36d_RhEn3-ob3_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:32:10 2021, MaxMem= 10737418240 cpu:              15.8 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736915163 LenY= 10736669643
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.386747600728    
 DIIS: error= 8.17D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.386747600728     IErMin= 1 ErrMin= 8.17D-03
 ErrMax= 8.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-02 BMatP= 2.90D-02
 IDIUse=3 WtCom= 9.18D-01 WtEn= 8.17D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 GapD=    0.448 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.10D-03 MaxDP=9.67D-01              OVMax= 2.48D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.73D-03    CP:  1.23D+00
 E= -680.414728155424     Delta-E=       -0.027980554695 Rises=F Damp=F
 DIIS: error= 9.40D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.414728155424     IErMin= 2 ErrMin= 9.40D-04
 ErrMax= 9.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-03 BMatP= 2.90D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.40D-03
 Coeff-Com: -0.363D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.360D-01 0.104D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 RMSDP=1.70D-03 MaxDP=2.07D-01 DE=-2.80D-02 OVMax= 1.13D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.16D-04    CP:  1.29D+00  1.15D+00
 E= -680.415967602684     Delta-E=       -0.001239447260 Rises=F Damp=F
 DIIS: error= 1.44D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.415967602684     IErMin= 2 ErrMin= 9.40D-04
 ErrMax= 1.44D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.77D-04 BMatP= 1.17D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.44D-02
 Coeff-Com: -0.518D-01 0.450D+00 0.602D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.510D-01 0.443D+00 0.608D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=3.57D-04 MaxDP=2.18D-02 DE=-1.24D-03 OVMax= 8.12D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.98D-04    CP:  1.29D+00  1.18D+00  7.23D-01
 E= -680.416497687844     Delta-E=       -0.000530085160 Rises=F Damp=F
 DIIS: error= 4.08D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.416497687844     IErMin= 4 ErrMin= 4.08D-04
 ErrMax= 4.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-04 BMatP= 6.77D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.08D-03
 Coeff-Com: -0.139D-01 0.639D-02 0.298D+00 0.709D+00
 Coeff-En:   0.000D+00 0.000D+00 0.239D-01 0.976D+00
 Coeff:     -0.138D-01 0.636D-02 0.297D+00 0.710D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.21D-04 MaxDP=9.12D-03 DE=-5.30D-04 OVMax= 2.38D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.43D-05    CP:  1.30D+00  1.18D+00  8.20D-01  8.46D-01
 E= -680.416611924276     Delta-E=       -0.000114236432 Rises=F Damp=F
 DIIS: error= 1.34D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.416611924276     IErMin= 5 ErrMin= 1.34D-04
 ErrMax= 1.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.58D-06 BMatP= 1.33D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.34D-03
 Coeff-Com:  0.250D-02-0.605D-01 0.271D-01 0.214D+00 0.817D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.250D-02-0.604D-01 0.271D-01 0.213D+00 0.818D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=3.06D-05 MaxDP=3.35D-03 DE=-1.14D-04 OVMax= 9.20D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.77D-05    CP:  1.30D+00  1.19D+00  8.25D-01  8.91D-01  1.17D+00
 E= -680.416621232386     Delta-E=       -0.000009308110 Rises=F Damp=F
 DIIS: error= 3.42D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.416621232386     IErMin= 6 ErrMin= 3.42D-05
 ErrMax= 3.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-06 BMatP= 6.58D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D-02-0.228D-01-0.174D-01-0.272D-04 0.322D+00 0.716D+00
 Coeff:      0.199D-02-0.228D-01-0.174D-01-0.272D-04 0.322D+00 0.716D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.02D-05 MaxDP=5.44D-04 DE=-9.31D-06 OVMax= 2.23D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.62D-06    CP:  1.30D+00  1.19D+00  8.33D-01  8.93D-01  1.18D+00
                    CP:  8.73D-01
 E= -680.416622583185     Delta-E=       -0.000001350799 Rises=F Damp=F
 DIIS: error= 7.72D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.416622583185     IErMin= 7 ErrMin= 7.72D-06
 ErrMax= 7.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.44D-08 BMatP= 1.31D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.196D-03 0.616D-02-0.144D-02-0.296D-01-0.783D-01 0.733D-02
 Coeff-Com:  0.110D+01
 Coeff:     -0.196D-03 0.616D-02-0.144D-02-0.296D-01-0.783D-01 0.733D-02
 Coeff:      0.110D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=3.59D-06 MaxDP=1.92D-04 DE=-1.35D-06 OVMax= 1.01D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.29D-06    CP:  1.30D+00  1.19D+00  8.33D-01  8.91D-01  1.21D+00
                    CP:  9.71D-01  1.14D+00
 E= -680.416622677053     Delta-E=       -0.000000093868 Rises=F Damp=F
 DIIS: error= 1.66D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.416622677053     IErMin= 8 ErrMin= 1.66D-06
 ErrMax= 1.66D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-09 BMatP= 4.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-03 0.215D-02 0.825D-03-0.663D-02-0.267D-01-0.267D-01
 Coeff-Com:  0.190D+00 0.867D+00
 Coeff:     -0.121D-03 0.215D-02 0.825D-03-0.663D-02-0.267D-01-0.267D-01
 Coeff:      0.190D+00 0.867D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=5.87D-07 MaxDP=3.55D-05 DE=-9.39D-08 OVMax= 1.39D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.96D-07    CP:  1.30D+00  1.19D+00  8.33D-01  8.90D-01  1.21D+00
                    CP:  9.73D-01  1.17D+00  1.12D+00
 E= -680.416622680266     Delta-E=       -0.000000003213 Rises=F Damp=F
 DIIS: error= 4.81D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.416622680266     IErMin= 9 ErrMin= 4.81D-07
 ErrMax= 4.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-10 BMatP= 2.41D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-04-0.390D-04 0.444D-03 0.910D-03 0.799D-03-0.815D-02
 Coeff-Com: -0.566D-01 0.232D+00 0.830D+00
 Coeff:     -0.151D-04-0.390D-04 0.444D-03 0.910D-03 0.799D-03-0.815D-02
 Coeff:     -0.566D-01 0.232D+00 0.830D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.92D-07 MaxDP=1.53D-05 DE=-3.21D-09 OVMax= 5.64D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.98D-08    CP:  1.30D+00  1.19D+00  8.33D-01  8.90D-01  1.21D+00
                    CP:  9.74D-01  1.17D+00  1.17D+00  9.11D-01
 E= -680.416622680709     Delta-E=       -0.000000000443 Rises=F Damp=F
 DIIS: error= 3.10D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.416622680709     IErMin=10 ErrMin= 3.10D-07
 ErrMax= 3.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-11 BMatP= 2.78D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.716D-05-0.119D-03-0.762D-04 0.375D-03 0.161D-02 0.181D-02
 Coeff-Com: -0.796D-02-0.737D-01-0.533D-01 0.113D+01
 Coeff:      0.716D-05-0.119D-03-0.762D-04 0.375D-03 0.161D-02 0.181D-02
 Coeff:     -0.796D-02-0.737D-01-0.533D-01 0.113D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=5.39D-08 MaxDP=4.05D-06 DE=-4.43D-10 OVMax= 3.62D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.79D-08    CP:  1.30D+00  1.19D+00  8.33D-01  8.90D-01  1.21D+00
                    CP:  9.74D-01  1.17D+00  1.19D+00  9.64D-01  1.21D+00
 E= -680.416622680717     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.61D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.416622680717     IErMin=11 ErrMin= 1.61D-07
 ErrMax= 1.61D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-12 BMatP= 1.46D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.777D-06 0.493D-04-0.447D-04-0.240D-03-0.717D-03 0.602D-03
 Coeff-Com:  0.107D-01-0.771D-02-0.918D-01-0.354D+00 0.144D+01
 Coeff:     -0.777D-06 0.493D-04-0.447D-04-0.240D-03-0.717D-03 0.602D-03
 Coeff:      0.107D-01-0.771D-02-0.918D-01-0.354D+00 0.144D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=3.11D-08 MaxDP=3.06D-06 DE=-8.19D-12 OVMax= 2.70D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.79D-08    CP:  1.30D+00  1.19D+00  8.33D-01  8.90D-01  1.21D+00
                    CP:  9.74D-01  1.17D+00  1.19D+00  9.86D-01  1.33D+00
                    CP:  1.36D+00
 E= -680.416622680816     Delta-E=       -0.000000000098 Rises=F Damp=F
 DIIS: error= 5.22D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -680.416622680816     IErMin=12 ErrMin= 5.22D-08
 ErrMax= 5.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-13 BMatP= 3.08D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.668D-06 0.220D-05 0.260D-04 0.290D-05-0.170D-04-0.359D-03
 Coeff-Com: -0.234D-02 0.137D-01 0.398D-01-0.101D+00-0.388D+00 0.144D+01
 Coeff:     -0.668D-06 0.220D-05 0.260D-04 0.290D-05-0.170D-04-0.359D-03
 Coeff:     -0.234D-02 0.137D-01 0.398D-01-0.101D+00-0.388D+00 0.144D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.33D-08 MaxDP=1.46D-06 DE=-9.82D-11 OVMax= 1.27D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.27D-09    CP:  1.30D+00  1.19D+00  8.33D-01  8.90D-01  1.21D+00
                    CP:  9.74D-01  1.17D+00  1.19D+00  9.90D-01  1.34D+00
                    CP:  1.57D+00  1.47D+00
 E= -680.416622680770     Delta-E=        0.000000000045 Rises=F Damp=F
 DIIS: error= 9.47D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -680.416622680816     IErMin=13 ErrMin= 9.47D-09
 ErrMax= 9.47D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-14 BMatP= 3.93D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.158D-06-0.301D-05 0.118D-04 0.185D-04 0.514D-04-0.165D-03
 Coeff-Com: -0.165D-02 0.546D-02 0.211D-01-0.119D-01-0.241D+00 0.528D+00
 Coeff-Com:  0.701D+00
 Coeff:     -0.158D-06-0.301D-05 0.118D-04 0.185D-04 0.514D-04-0.165D-03
 Coeff:     -0.165D-02 0.546D-02 0.211D-01-0.119D-01-0.241D+00 0.528D+00
 Coeff:      0.701D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=2.89D-09 MaxDP=2.69D-07 DE= 4.52D-11 OVMax= 1.49D-07

 SCF Done:  E(RM11) =  -680.416622681     A.U. after   13 cycles
            NFock= 13  Conv=0.29D-08     -V/T= 2.1276
 KE= 6.033980819395D+02 PE=-3.900513499818D+03 EE= 1.418163268582D+03
 Leave Link  502 at Fri Jul 23 17:41:00 2021, MaxMem= 10737418240 cpu:            8455.3 elap:             529.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   466
 NBasis=   466 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    466 NOA=    58 NOB=    58 NVA=   408 NVB=   408

 **** Warning!!: The largest alpha MO coefficient is  0.46199379D+02

 Leave Link  801 at Fri Jul 23 17:41:01 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11209 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-13 8.33D-09 XBig12= 1.00D+00 2.82D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-13 8.33D-09 XBig12= 1.20D-01 6.56D-02.
     11 vectors produced by pass  2 Test12= 3.94D-13 8.33D-09 XBig12= 3.62D-02 5.38D-02.
     11 vectors produced by pass  3 Test12= 3.94D-13 8.33D-09 XBig12= 5.25D-03 1.95D-02.
     11 vectors produced by pass  4 Test12= 3.94D-13 8.33D-09 XBig12= 7.33D-04 5.16D-03.
     11 vectors produced by pass  5 Test12= 3.94D-13 8.33D-09 XBig12= 6.94D-05 2.43D-03.
     11 vectors produced by pass  6 Test12= 3.94D-13 8.33D-09 XBig12= 1.40D-05 9.30D-04.
     11 vectors produced by pass  7 Test12= 3.94D-13 8.33D-09 XBig12= 2.53D-06 2.61D-04.
     11 vectors produced by pass  8 Test12= 3.94D-13 8.33D-09 XBig12= 2.77D-07 8.40D-05.
     11 vectors produced by pass  9 Test12= 3.94D-13 8.33D-09 XBig12= 1.65D-08 2.69D-05.
     11 vectors produced by pass 10 Test12= 3.94D-13 8.33D-09 XBig12= 7.69D-10 5.80D-06.
      9 vectors produced by pass 11 Test12= 3.94D-13 8.33D-09 XBig12= 3.00D-11 8.00D-07.
      2 vectors produced by pass 12 Test12= 3.94D-13 8.33D-09 XBig12= 9.52D-13 1.27D-07.
      1 vectors produced by pass 13 Test12= 3.94D-13 8.33D-09 XBig12= 2.81D-14 1.59D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   133 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.153393D+03
      2 -0.183324D-01  0.153332D+03
      3  0.246664D-01  0.148493D-01  0.119620D+03
 Isotropic polarizability for W=    0.085645      142.11 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.318489D+02 -0.782532D+02 -0.134495D+00
      2  -0.318426D+02  0.782467D+02  0.123306D+00
      3  -0.621932D-02  0.645763D-02  0.111898D-01
      4  -0.780961D+02 -0.316295D+02 -0.790589D-01
      5  -0.768197D-01  0.444727D+01  0.911887D-01
      6  -0.457164D+01  0.109514D+00 -0.609365D-03
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.470725D+01  0.176472D-01  0.877557D-01
      2  -0.134573D+00  0.458869D+01 -0.225505D-01
      3   0.626097D-01 -0.130044D+00 -0.707633D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.452633D+01 -0.137918D-01  0.706699D-02
      2  -0.576757D-01  0.449258D+01  0.974081D-01
      3   0.157077D+00 -0.213182D+00 -0.901891D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.112238D+00  0.202979D-01 -0.170734D-01
      2   0.202979D-01 -0.613955D-01  0.236768D-01
      3  -0.170734D-01  0.236768D-01  0.239324D+01
 OR G Eigenvalues:    -0.1196    -0.0544     2.3936  Iso=    -0.7399
 Eigenvectors:
   (1)   0.942931  -0.332852   0.009543
   (2)   0.332921   0.942930  -0.006799
   (3)  -0.006735   0.009588   0.999931
 w=    0.085645 a.u., Optical Rotation Beta=     -0.7399 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =     -123.90 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  108811 ScalPx= 7.84D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.06D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 3.35D-01.
     30 vectors produced by pass  1 Test12= 6.57D-14 2.78D-09 XBig12= 4.59D-01 3.27D-01.
     30 vectors produced by pass  2 Test12= 6.57D-14 2.78D-09 XBig12= 1.43D-02 2.31D-02.
     30 vectors produced by pass  3 Test12= 6.57D-14 2.78D-09 XBig12= 2.67D-04 3.86D-03.
     30 vectors produced by pass  4 Test12= 6.57D-14 2.78D-09 XBig12= 7.79D-06 3.70D-04.
     30 vectors produced by pass  5 Test12= 6.57D-14 2.78D-09 XBig12= 1.71D-07 4.98D-05.
     30 vectors produced by pass  6 Test12= 6.57D-14 2.78D-09 XBig12= 2.41D-09 5.69D-06.
     30 vectors produced by pass  7 Test12= 6.57D-14 2.78D-09 XBig12= 3.68D-11 5.36D-07.
     28 vectors produced by pass  8 Test12= 6.57D-14 2.78D-09 XBig12= 5.59D-13 1.11D-07.
      9 vectors produced by pass  9 Test12= 6.57D-14 2.78D-09 XBig12= 7.05D-15 1.14D-08.
      1 vectors produced by pass 10 Test12= 6.57D-14 2.78D-09 XBig12= 1.81D-15 4.92D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   278 with    30 vectors.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 6.21D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 6.21D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.96D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153393D+03 -0.183324D-01  0.246664D-01
      2  -0.183324D-01  0.153332D+03  0.148493D-01
      3   0.246664D-01  0.148493D-01  0.119620D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.470725D+01  0.176472D-01  0.877557D-01
      2  -0.134573D+00  0.458869D+01 -0.225505D-01
      3   0.626097D-01 -0.130044D+00 -0.707633D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.318489D+02 -0.782532D+02 -0.134495D+00
      2  -0.318426D+02  0.782467D+02  0.123306D+00
      3  -0.621932D-02  0.645763D-02  0.111898D-01
      4  -0.780961D+02 -0.316295D+02 -0.790589D-01
      5  -0.768197D-01  0.444727D+01  0.911887D-01
      6  -0.457164D+01  0.109514D+00 -0.609365D-03
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.654089D+00  0.158860D+01 -0.147387D+01  0.948732D+00  0.921111D+00
      2   0.158860D+01  0.176078D+01 -0.326002D+01  0.921111D+00  0.332156D+01
      3  -0.147387D+01 -0.326002D+01 -0.729067D-01 -0.337788D+01 -0.391413D+00
                 6             7             8             9            10 
      1  -0.337788D+01 -0.168315D+01 -0.451085D+01  0.347881D+00  0.417146D+01
      2  -0.391413D+00 -0.451085D+01 -0.999431D+00  0.282801D+01  0.514418D+00
      3   0.178442D+01  0.347881D+00  0.282801D+01 -0.232262D+00  0.217334D+01
                11            12            13            14            15 
      1   0.514418D+00  0.217334D+01  0.165727D+01  0.992524D+00  0.308768D+01
      2   0.651750D+00  0.321129D+01  0.992524D+00 -0.307957D+00 -0.340070D+00
      3   0.321129D+01  0.172247D+01  0.308768D+01 -0.340070D+00 -0.525714D+00
                16            17            18            19            20 
      1   0.348450D+01  0.407482D+01  0.288738D+01 -0.103106D+02 -0.189241D+01
      2   0.407482D+01 -0.658230D+00 -0.357263D+00 -0.189241D+01  0.356403D-01
      3   0.288738D+01 -0.357263D+00  0.224460D+00 -0.459640D+01 -0.235000D+01
                21            22            23            24            25 
      1  -0.459640D+01 -0.437131D+01 -0.608682D+00 -0.285935D+01 -0.359795D+01
      2  -0.235000D+01 -0.608682D+00 -0.130864D+01 -0.273074D-01 -0.154647D+01
      3  -0.216667D+01 -0.285935D+01 -0.273074D-01  0.238628D+00 -0.238756D+01
                26            27            28            29            30 
      1  -0.154647D+01 -0.238756D+01 -0.564486D+00  0.144497D+01  0.279076D-01
      2  -0.130738D+00  0.939131D+00  0.144497D+01  0.569583D+00 -0.166066D+01
      3   0.939131D+00  0.398452D+00  0.279076D-01 -0.166066D+01 -0.294329D-03
                31            32            33            34            35 
      1   0.142641D+01  0.575108D+00  0.165397D+01  0.124782D-02 -0.809319D-02
      2   0.575108D+00 -0.141872D+01 -0.101548D-01 -0.809319D-02  0.139506D-01
      3   0.165397D+01 -0.101548D-01  0.111372D-02 -0.872762D-02  0.419278D-02
                36            37            38            39            40 
      1  -0.872762D-02 -0.223264D+01 -0.236962D+01  0.167862D+01 -0.113684D+01
      2   0.419278D-02 -0.236962D+01 -0.598604D+01  0.363879D+01 -0.374188D+01
      3   0.174234D-02  0.167862D+01  0.363879D+01 -0.353475D+00  0.313126D+01
                41            42            43            44            45 
      1  -0.374188D+01  0.313126D+01  0.117843D+01  0.222904D+01  0.275599D+00
      2  -0.731926D+01  0.292458D+01  0.222904D+01  0.254997D+01 -0.251967D+01
      3   0.292458D+01 -0.214814D+01  0.275599D+00 -0.251967D+01 -0.410902D+00
                46            47            48            49            50 
      1   0.113629D+02  0.919290D+00  0.554548D+01 -0.165055D+01  0.311864D-01
      2   0.919290D+00  0.585494D-01 -0.907003D+00  0.311864D-01 -0.125211D+01
      3   0.554548D+01 -0.907003D+00  0.203053D+01 -0.138620D+01 -0.957846D+00
                51            52            53            54            55 
      1  -0.138620D+01  0.412242D+01 -0.524317D+00  0.200442D+01 -0.441504D+01
      2  -0.957846D+00 -0.524317D+00 -0.390490D+00  0.149773D+01 -0.235691D+00
      3   0.752192D+00  0.200442D+01  0.149773D+01 -0.413223D+00 -0.362421D+01
                56            57            58            59            60 
      1  -0.235691D+00 -0.362421D+01  0.802758D+00 -0.485789D+00  0.208033D+01
      2  -0.441396D+00  0.220945D+01 -0.485789D+00 -0.739374D+00  0.171545D+01
      3   0.220945D+01 -0.155449D+01  0.208033D+01  0.171545D+01 -0.920903D+00
                61            62            63            64            65 
      1  -0.526838D+01  0.258271D+01 -0.269178D+01 -0.191257D+01  0.196215D+01
      2   0.258271D+01  0.241125D+01 -0.109731D+01  0.196215D+01 -0.159563D+01
      3  -0.269178D+01 -0.109731D+01 -0.239365D+00  0.309786D+01 -0.264679D+01
                66            67            68            69            70 
      1   0.309786D+01  0.119081D+01 -0.878938D+00 -0.273452D+01  0.397345D+01
      2  -0.264679D+01 -0.878938D+00  0.226011D+01 -0.118968D+01 -0.382740D+01
      3  -0.387949D+00 -0.273452D+01 -0.118968D+01  0.176905D+01 -0.112024D+01
                71            72            73            74            75 
      1  -0.382740D+01 -0.112024D+01  0.438591D+01 -0.408284D+01 -0.341027D+01
      2  -0.118102D+01  0.271709D+01 -0.408284D+01  0.572027D+01  0.350865D+01
      3   0.271709D+01  0.263516D+00 -0.341027D+01  0.350865D+01  0.875534D+00
                76            77            78            79            80 
      1  -0.231117D+01  0.386321D+01  0.301604D+01 -0.234736D+01  0.226377D+01
      2   0.386321D+01 -0.375021D+01 -0.118797D+01  0.226377D+01 -0.139531D+01
      3   0.301604D+01 -0.118797D+01 -0.197684D+01  0.360820D+00 -0.252368D+01
                81            82            83            84            85 
      1   0.360820D+00 -0.842674D+00  0.880496D+00  0.109368D+01  0.161243D+01
      2  -0.252368D+01  0.880496D+00  0.102814D+01 -0.378823D+00  0.352217D+01
      3   0.388230D+00  0.109368D+01 -0.378823D+00  0.125607D+01 -0.905153D+00
                86            87            88            89            90 
      1   0.352217D+01 -0.905153D+00  0.395088D+00 -0.723870D+00  0.196778D+01
      2   0.100801D+02 -0.556652D+01 -0.723870D+00 -0.404396D+01  0.158353D+01
      3  -0.556652D+01  0.172234D+01  0.196778D+01  0.158353D+01  0.462566D+00
                91            92            93            94            95 
      1  -0.107710D+01 -0.407638D+00 -0.243815D+01 -0.607183D+00 -0.120168D+01
      2  -0.407638D+00 -0.160482D+00 -0.469979D+00 -0.120168D+01 -0.407530D+01
      3  -0.243815D+01 -0.469979D+00 -0.134422D+01 -0.562108D+00  0.427472D+01
                96            97            98            99           100 
      1  -0.562108D+00 -0.325361D+01 -0.265842D+00 -0.178129D+01  0.147337D+01
      2   0.427472D+01 -0.265842D+00  0.603508D+01 -0.235521D+01 -0.572282D+00
      3  -0.124286D+01 -0.178129D+01 -0.235521D+01  0.189430D+00  0.223932D+01
               101           102           103           104           105 
      1  -0.572282D+00  0.223932D+01 -0.109174D+01  0.187508D+01  0.116556D+01
      2   0.919982D+00  0.129575D+01  0.187508D+01 -0.323569D+01 -0.409569D+01
      3   0.129575D+01  0.160201D+01  0.116556D+01 -0.409569D+01 -0.882566D+00
               106           107           108           109           110 
      1   0.279348D+01  0.200938D+01  0.229561D+01 -0.706365D+00  0.251346D+01
      2   0.200938D+01 -0.555518D+01 -0.176370D+01  0.251346D+01 -0.251125D+01
      3   0.229561D+01 -0.176370D+01 -0.225783D+00 -0.306178D+00 -0.199419D+01
               111           112           113           114           115 
      1  -0.306178D+00  0.389857D+01 -0.474171D+01 -0.251182D+01  0.291971D+00
      2  -0.199419D+01 -0.474171D+01  0.750037D+01  0.492005D+01 -0.173127D+01
      3  -0.169774D+01 -0.251182D+01  0.492005D+01  0.140171D+01 -0.231632D+01
               116           117           118           119           120 
      1  -0.173127D+01 -0.231632D+01 -0.484627D+00 -0.919031D+00  0.333706D+00
      2   0.343176D+01  0.100083D+01 -0.919031D+00 -0.443422D+00  0.398598D+00
      3   0.100083D+01 -0.425161D+00  0.333706D+00  0.398598D+00 -0.277141D+00
               121           122           123           124           125 
      1  -0.148965D+01  0.480459D+00  0.109905D+00  0.799789D+00  0.249197D+00
      2   0.480459D+00 -0.499414D+01  0.166053D+01  0.249197D+00  0.272119D+01
      3   0.109905D+00  0.166053D+01 -0.145508D+01  0.234406D+00 -0.199420D+01
               126           127           128           129           130 
      1   0.234406D+00  0.642660D+01 -0.295153D+01 -0.222750D+01 -0.243922D+01
      2  -0.199420D+01 -0.295153D+01  0.248565D+01  0.128334D+01  0.254614D+01
      3   0.218636D+01 -0.222750D+01  0.128334D+01  0.165366D+01  0.123551D+01
               131           132           133           134           135 
      1   0.254614D+01  0.123551D+01 -0.346897D+01  0.241218D+01  0.259526D+01
      2  -0.325439D+01 -0.109745D+01  0.241218D+01 -0.180333D+01 -0.208397D+01
      3  -0.109745D+01 -0.113978D+01  0.259526D+01 -0.208397D+01 -0.269966D+01
               136           137           138           139           140 
      1   0.297129D+01  0.123897D+01 -0.729756D+00  0.229132D+01  0.121981D+01
      2   0.123897D+01  0.990497D+00 -0.519389D+00  0.121981D+01  0.290612D+01
      3  -0.729756D+00 -0.519389D+00  0.853049D+00 -0.772155D+00 -0.123734D+01
               141           142           143           144           145 
      1  -0.772155D+00 -0.148900D+01 -0.938958D+00  0.159095D+01  0.901061D+01
      2  -0.123734D+01 -0.938958D+00 -0.197484D+01  0.121348D+01 -0.113287D+01
      3   0.118980D+01  0.159095D+01  0.121348D+01 -0.217593D+01  0.291916D+01
               146           147           148           149           150 
      1  -0.113287D+01  0.291916D+01 -0.147726D+01  0.169678D+01 -0.596030D+00
      2   0.128463D+01 -0.545445D+00  0.169678D+01 -0.881721D+00  0.407073D+00
      3  -0.545445D+00  0.199808D+01 -0.596030D+00  0.407073D+00 -0.389747D+00
               151           152           153           154           155 
      1   0.505792D+01 -0.847537D+00  0.330717D+01  0.383049D+01  0.127741D+01
      2  -0.847537D+00  0.217874D+00 -0.382407D+00  0.127741D+01  0.224304D+01
      3   0.330717D+01 -0.382407D+00  0.267177D+01  0.156181D+01  0.592077D+00
               156           157           158           159           160 
      1   0.156181D+01  0.774970D+00  0.133931D+01  0.305488D+00  0.246243D+01
      2   0.592077D+00  0.133931D+01  0.165341D+01  0.480786D+00  0.684920D+00
      3   0.138945D+01  0.305488D+00  0.480786D+00  0.491881D+00  0.161490D+01
               161           162           163           164           165 
      1   0.684920D+00  0.161490D+01  0.282952D+00  0.156320D+01 -0.323480D+00
      2   0.106732D+01  0.120463D+01  0.156320D+01  0.210442D+00 -0.133789D+00
      3   0.120463D+01  0.219813D+01 -0.323480D+00 -0.133789D+00  0.177237D+00
               166           167           168           169           170 
      1   0.122383D+01  0.630518D+00 -0.169193D+00 -0.128745D+00 -0.503372D+00
      2   0.630518D+00  0.928284D+01 -0.301719D+01 -0.503372D+00 -0.517922D+01
      3  -0.169193D+00 -0.301719D+01  0.201710D+01  0.511276D+00  0.329271D+01
               171           172           173           174           175 
      1   0.511276D+00 -0.453901D+01  0.104660D+01 -0.167561D+01  0.332850D+00
      2   0.329271D+01  0.104660D+01 -0.191175D+01  0.235398D+00 -0.117523D+01
      3  -0.266058D+01 -0.167561D+01  0.235398D+00 -0.145010D+01 -0.723623D-02
               176           177           178           179           180 
      1  -0.117523D+01 -0.723623D-02 -0.270307D+01  0.261253D+00 -0.184973D+01
      2   0.558301D+00 -0.332284D+00  0.261253D+00 -0.790762D+00  0.767157D+00
      3  -0.332284D+00  0.147708D+00 -0.184973D+01  0.767157D+00 -0.217308D+01
               181           182           183           184           185 
      1  -0.151585D+01  0.194523D+01  0.542750D+00  0.173973D+01 -0.213695D+01
      2   0.194523D+01 -0.167839D+01 -0.792288D+00 -0.213695D+01  0.833615D+01
      3   0.542750D+00 -0.792288D+00 -0.687455D+00 -0.826923D+00  0.277131D+01
               186           187           188           189           190 
      1  -0.826923D+00  0.691881D+00 -0.166274D+01 -0.132941D+01 -0.417314D+01
      2   0.277131D+01 -0.166274D+01  0.455669D+01  0.304044D+01  0.882136D+00
      3   0.191463D+01 -0.132941D+01  0.304044D+01  0.266121D+01  0.115222D+01
               191           192           193           194           195 
      1   0.882136D+00  0.115222D+01  0.185930D+01 -0.103681D+01 -0.794520D+00
      2  -0.103427D+01 -0.531604D+00 -0.103681D+01  0.213711D+01  0.898132D+00
      3  -0.531604D+00 -0.110910D+01 -0.794520D+00  0.898132D+00  0.933888D+00
               196           197           198           199           200 
      1   0.197423D+01 -0.912390D+00 -0.182746D+01 -0.761470D+01 -0.238116D+01
      2  -0.912390D+00  0.145784D+01  0.782508D+00 -0.238116D+01 -0.180680D+01
      3  -0.182746D+01  0.782508D+00  0.219220D+01 -0.249677D+01 -0.109179D+01
               201           202           203           204           205 
      1  -0.249677D+01 -0.259557D+01 -0.228518D+01 -0.111598D+01 -0.432485D+01
      2  -0.109179D+01 -0.228518D+01 -0.226813D+01 -0.834169D+00 -0.190336D+01
      3  -0.182159D+01 -0.111598D+01 -0.834169D+00 -0.854003D+00 -0.309440D+01
               206           207           208           209           210 
      1  -0.190336D+01 -0.309440D+01  0.130122D+01 -0.876288D+00 -0.549451D+00
      2  -0.935386D+00 -0.120490D+01 -0.876288D+00  0.121913D+01  0.666354D+00
      3  -0.120490D+01 -0.269050D+01 -0.549451D+00  0.666354D+00  0.615997D+00
               211           212           213           214           215 
      1  -0.115818D+01  0.234037D+00  0.385347D+00 -0.102724D+01  0.680730D+00
      2   0.234037D+00 -0.490626D+01 -0.145686D+01  0.680730D+00 -0.240723D+01
      3   0.385347D+00 -0.145686D+01 -0.131257D+01  0.274647D+00 -0.197131D+01
               216           217           218           219           220 
      1   0.274647D+00 -0.428499D+01 -0.290564D+01  0.152202D+01 -0.235873D+01
      2  -0.197131D+01 -0.290564D+01 -0.288200D+01  0.134983D+01 -0.285781D+01
      3  -0.217718D+01  0.152202D+01  0.134983D+01 -0.130525D+01  0.131165D+01
               221           222           223           224           225 
      1  -0.285781D+01  0.131165D+01  0.208516D+01  0.241287D+01 -0.194284D+01
      2  -0.544517D+01  0.180198D+01  0.241287D+01  0.300060D+01 -0.262876D+01
      3   0.180198D+01 -0.152538D+01 -0.194284D+01 -0.262876D+01  0.267030D+01
               226           227           228           229           230 
      1   0.239681D+01 -0.248082D+00  0.228211D+00 -0.163058D+01  0.128404D+01
      2  -0.248082D+00  0.308911D+01 -0.202339D+01  0.128404D+01 -0.357110D+01
      3   0.228211D+00 -0.202339D+01  0.149017D+01 -0.990117D+00  0.133445D+01
               231           232           233           234           235 
      1  -0.990117D+00  0.319893D+00 -0.119116D+01  0.741697D+00 -0.131379D+01
      2   0.133445D+01 -0.119116D+01  0.652072D+00 -0.833684D+00 -0.242677D+00
      3  -0.126131D+01  0.741697D+00 -0.833684D+00  0.172459D+01  0.103822D+01
               236           237           238           239           240 
      1  -0.242677D+00  0.103822D+01  0.520555D+00  0.120790D+01 -0.890846D+00
      2  -0.168140D+00 -0.238626D+00  0.120790D+01  0.197363D+01 -0.321385D+00
      3  -0.238626D+00 -0.148757D+01 -0.890846D+00 -0.321385D+00  0.139094D+01
               241           242           243           244           245 
      1   0.120303D+01  0.153310D+00 -0.129320D+01 -0.190680D+01  0.147190D+01
      2   0.153310D+00  0.110421D+01 -0.228552D+00  0.147190D+01 -0.167718D+01
      3  -0.129320D+01 -0.228552D+00  0.556657D+01 -0.463423D+00  0.107914D+01
               246           247           248           249           250 
      1  -0.463423D+00  0.352080D+01 -0.801402D+00  0.209247D+01  0.258854D-01
      2   0.107914D+01 -0.801402D+00  0.309458D+01 -0.107331D+01  0.111066D+01
      3  -0.810630D+00  0.209247D+01 -0.107331D+01  0.176984D+01 -0.585545D+00
               251           252           253           254           255 
      1   0.111066D+01 -0.585545D+00  0.224795D+01  0.507652D+00  0.484566D+00
      2  -0.932088D+00  0.929356D+00  0.507652D+00 -0.300380D+00  0.447580D+00
      3   0.929356D+00 -0.169414D+01  0.484566D+00  0.447580D+00  0.920948D+00
               256           257           258           259           260 
      1  -0.104894D+01 -0.674211D+00 -0.196250D+00 -0.122385D+01 -0.161161D+00
      2  -0.674211D+00 -0.109610D+01 -0.124577D+01 -0.161161D+00 -0.111666D+01
      3  -0.196250D+00 -0.124577D+01 -0.181846D+01 -0.571763D+00 -0.118774D+01
               261           262           263           264           265 
      1  -0.571763D+00 -0.518995D+01  0.268968D+00  0.235637D+01 -0.609175D+00
      2  -0.118774D+01  0.268968D+00 -0.202669D+01 -0.225112D+00  0.998252D-01
      3  -0.558403D+01  0.235637D+01 -0.225112D+00 -0.183452D+01  0.827633D+00
               266           267           268           269           270 
      1   0.998252D-01  0.827633D+00  0.158440D+01  0.493798D+00 -0.107736D+01
      2  -0.155120D+01 -0.826248D+00  0.493798D+00 -0.670674D+00 -0.253881D+00
      3  -0.826248D+00 -0.684764D+00 -0.107736D+01 -0.253881D+00  0.170871D+01
               271           272           273           274           275 
      1   0.617445D+00 -0.882349D+00  0.509221D+00 -0.742562D-01  0.925286D+00
      2  -0.882349D+00  0.229467D+01  0.120027D+01  0.925286D+00  0.121736D+00
      3   0.509221D+00  0.120027D+01  0.195249D+01  0.531099D+00  0.252169D+00
               276           277           278           279           280 
      1   0.531099D+00  0.995441D+00 -0.470455D-01  0.428171D+00  0.483379D+01
      2   0.252169D+00 -0.470455D-01  0.135300D+01  0.126608D+01  0.932947D+00
      3   0.605879D+00  0.428171D+00  0.126608D+01  0.559321D+01 -0.228479D+01
               281           282           283           284           285 
      1   0.932947D+00 -0.228479D+01  0.644759D+00  0.422437D+00 -0.199708D-01
      2   0.267159D+01 -0.104099D+01  0.422437D+00 -0.841277D+00  0.725596D+00
      3  -0.104099D+01  0.192829D+01 -0.199708D-01  0.725596D+00 -0.167835D+00
               286           287           288           289           290 
      1  -0.170474D+01 -0.142430D+00  0.112279D+01 -0.383596D+00 -0.113305D+00
      2  -0.142430D+00  0.721219D+00  0.577188D-01 -0.113305D+00 -0.239167D+01
      3   0.112279D+01  0.577188D-01 -0.173200D+01 -0.934360D+00  0.985047D+00
               291           292           293           294           295 
      1  -0.934360D+00  0.313214D+00 -0.893745D+00  0.346664D+00 -0.100717D+01
      2   0.985047D+00 -0.893745D+00 -0.919839D+00  0.997330D-01  0.397442D-01
      3  -0.200211D+01  0.346664D+00  0.997330D-01  0.114868D+00 -0.736715D+00
               296           297           298           299           300 
      1   0.397442D-01 -0.736715D+00  0.336241D+00  0.108111D+01 -0.266388D+00
      2  -0.134681D+01  0.108783D+01  0.108111D+01  0.142383D+01  0.741843D+00
      3   0.108783D+01 -0.558480D+01 -0.266388D+00  0.741843D+00  0.349812D+00
               301           302           303           304           305 
      1   0.336004D+01  0.110229D+01  0.177279D+01 -0.467236D+00  0.760952D+00
      2   0.110229D+01  0.400755D+01  0.180387D+01  0.760952D+00  0.141502D+01
      3   0.177279D+01  0.180387D+01  0.194142D+01  0.364837D+00  0.106660D+01
               306           307           308           309           310 
      1   0.364837D+00 -0.192745D+01 -0.330785D+00 -0.426935D+00 -0.191643D+01
      2   0.106660D+01 -0.330785D+00  0.544385D+00  0.847660D-02  0.517768D+00
      3   0.172420D+01 -0.426935D+00  0.847660D-02 -0.446858D+00 -0.650492D+00
               311           312           313           314           315 
      1   0.517768D+00 -0.650492D+00  0.129560D+01 -0.126172D+00  0.861239D+00
      2  -0.632746D+00  0.120233D+01 -0.126172D+00  0.104408D+01 -0.100756D+01
      3   0.120233D+01 -0.199288D+01  0.861239D+00 -0.100756D+01  0.558023D+01
               316           317           318           319           320 
      1  -0.192834D+01  0.113765D+00  0.427462D+00 -0.163509D+01 -0.649171D+00
      2   0.113765D+00 -0.200623D+01 -0.156247D+01 -0.649171D+00 -0.472348D+01
      3   0.427462D+00 -0.156247D+01 -0.110701D+01 -0.558677D+00 -0.199356D+01
               321           322           323           324           325 
      1  -0.558677D+00  0.251642D+00 -0.961242D+00 -0.489933D+00  0.102063D+01
      2  -0.199356D+01 -0.961242D+00 -0.120162D+01 -0.984869D+00  0.390918D+00
      3  -0.159176D+01 -0.489933D+00 -0.984869D+00 -0.170608D+01 -0.704383D+00
               326           327           328           329           330 
      1   0.390918D+00 -0.704383D+00  0.148351D+01 -0.131780D+01 -0.112799D+01
      2  -0.179972D+00 -0.479524D+00 -0.131780D+01  0.125922D+01 -0.705420D-01
      3  -0.479524D+00  0.110129D+01 -0.112799D+01 -0.705420D-01  0.170318D+01
               331           332           333 
      1  -0.129258D+01  0.116360D+00  0.131744D+01
      2   0.116360D+00 -0.104014D+01  0.996256D-01
      3   0.131744D+01  0.996256D-01 -0.558119D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.496027D+01 -0.605991D+01 -0.393283D+01 -0.745612D+01  0.376822D+01
      2   0.602034D+01  0.547359D+01  0.607458D+01  0.591629D+01 -0.443869D+01
      3   0.342761D+01 -0.587820D+01  0.130251D+01 -0.317391D+00  0.350233D+01
                 6             7             8             9            10 
      1   0.138957D+01 -0.505211D+01  0.273894D+01  0.190430D+01 -0.771007D+00
      2  -0.162059D+01  0.270200D+01  0.306774D+00 -0.177067D+01 -0.416799D+00
      3   0.993016D+01 -0.672688D+00  0.139070D+02  0.497760D+01 -0.163775D+01
                11            12            13            14            15 
      1   0.521496D+01 -0.160237D+00  0.526167D+01  0.197570D+01 -0.491319D+01
      2  -0.105436D+02 -0.342560D+00 -0.892988D+01 -0.135486D+01  0.563564D+01
      3   0.507817D-01  0.990747D+01  0.507504D+01 -0.528379D+01 -0.163983D+01
                16            17            18            19            20 
      1  -0.121047D+01 -0.871442D+00 -0.115641D+01  0.276094D+01 -0.110549D+02
      2  -0.116282D+01  0.587970D+01  0.217345D+01  0.243765D+02  0.447442D+01
      3   0.129786D+02 -0.427612D+01 -0.491689D+01 -0.102374D+02  0.931930D+01
                21            22            23            24            25 
      1   0.472483D+01 -0.220947D+02 -0.205660D+01 -0.121344D+02  0.402219D+01
      2   0.965604D+00 -0.236116D+01  0.710597D+00 -0.834400D+01 -0.319031D+02
      3  -0.716217D+01  0.357631D+02  0.627379D+01  0.146420D+02 -0.132755D+01
                26            27            28            29            30 
      1  -0.235394D+00 -0.895757D-01 -0.589364D+00  0.301089D+00 -0.143456D+00
      2  -0.111094D+02 -0.224123D+02  0.616870D+00  0.228586D+00 -0.832612D+01
      3   0.737316D+01  0.363749D+01  0.521711D+00  0.162244D+02  0.221957D+00
                31            32            33            34            35 
      1   0.133991D+00  0.107808D+00  0.859982D+01 -0.121463D+00 -0.215444D+02
      2   0.242406D+00 -0.525080D+00 -0.981150D-01  0.217992D+02 -0.161171D+00
      3  -0.163339D+02  0.226951D+00  0.257743D+00  0.325562D+00  0.131335D+00
                36            37            38            39            40 
      1  -0.215636D+00  0.196347D+00 -0.142912D+01  0.101754D+02  0.803226D+01
      2   0.528374D-01 -0.105532D+02 -0.188318D+02  0.803027D+01 -0.999589D+01
      3   0.208505D+00 -0.165995D+02 -0.283933D+02  0.121564D+02 -0.195035D+01
                41            42            43            44            45 
      1   0.241844D+02 -0.507600D+01  0.184213D+02  0.259483D+02 -0.217190D+02
      2   0.452609D+01 -0.663926D+01 -0.593744D+01 -0.113383D+02  0.588391D+01
      3   0.205234D+02 -0.107200D+02  0.668744D+01 -0.327050D+01 -0.360671D+01
                46            47            48            49            50 
      1   0.167267D+00 -0.997809D+01 -0.910849D+00 -0.224264D+02 -0.659134D+01
      2   0.237254D+02 -0.125985D+01 -0.158113D+01  0.263479D+01  0.775821D-02
      3  -0.255566D+01  0.103700D+02  0.297157D+01  0.368241D+02  0.581434D+01
                51            52            53            54            55 
      1  -0.146174D+02  0.498669D+01 -0.191192D+01  0.585970D+01 -0.671294D+00
      2   0.467355D+01 -0.339494D+02  0.235905D+01 -0.217423D+02 -0.597589D+01
      3   0.159044D+02 -0.791848D+00  0.738049D+01 -0.380083D+01  0.418910D+00
                56            57            58            59            60 
      1   0.267134D+01  0.102511D+01  0.315973D+01 -0.317058D+00 -0.315347D+01
      2   0.107619D+02  0.112848D+01  0.935924D+01  0.345358D+01 -0.644606D+01
      3  -0.107982D+01 -0.932096D+01  0.394102D+01  0.607399D+01 -0.406036D+01
                61            62            63            64            65 
      1   0.135504D+01  0.921341D+00  0.558125D+00  0.561846D+01 -0.259578D+01
      2   0.899922D+00 -0.605797D+01  0.241854D+01  0.103789D+02 -0.318670D+01
      3  -0.117785D+02 -0.752286D+01  0.494793D+01 -0.191189D+01 -0.525949D+01
                66            67            68            69            70 
      1   0.199181D+01 -0.386898D+01 -0.461523D+01  0.169404D+01  0.329142D+01
      2   0.617850D+01 -0.372991D+01 -0.794809D+01  0.377583D+01  0.366976D+01
      3  -0.369864D+01 -0.365263D+00 -0.480236D+01  0.945311D+01 -0.297689D+01
                71            72            73            74            75 
      1   0.383257D+01 -0.125067D+01  0.963676D+00  0.577354D+00 -0.989683D+01
      2   0.161223D+01 -0.195236D+01 -0.170052D+02  0.139278D+02  0.369319D+01
      3   0.137124D+02 -0.514158D+01  0.217443D+02 -0.173150D+02 -0.909255D+01
                76            77            78            79            80 
      1   0.120019D+02 -0.230188D+02 -0.942313D+01 -0.213898D+02  0.172891D+02
      2   0.773580D+01  0.487888D+01  0.626929D+01 -0.144856D+02  0.141583D+02
      3   0.911836D+01 -0.255005D+02 -0.135015D+02 -0.563954D+01 -0.476223D+01
                81            82            83            84            85 
      1   0.194091D+02 -0.181090D+01  0.347567D+01 -0.115153D+00  0.312531D+01
      2   0.110494D+02 -0.145230D+02 -0.202169D+02  0.149017D+02 -0.729708D+01
      3   0.371388D+01 -0.173787D+02 -0.316191D+02  0.161465D+02 -0.518420D+01
                86            87            88            89            90 
      1   0.231851D+02  0.173799D+01  0.668455D+01  0.305068D+02 -0.194214D+02
      2   0.146211D+01 -0.343989D+01 -0.114939D+01 -0.136532D+02  0.111749D+02
      3   0.135355D+02 -0.121786D+01  0.707866D+01 -0.242567D+01  0.348143D+01
                91            92            93            94            95 
      1   0.802248D+01  0.607698D+01  0.667044D+01  0.732588D+01 -0.102074D+02
      2  -0.952240D+00  0.939926D+00  0.110147D+01  0.249772D+00  0.714096D+00
      3  -0.638133D+01 -0.256336D+01 -0.627563D+01  0.268615D+01 -0.242433D+00
                96            97            98            99           100 
      1  -0.325183D+01  0.511664D+01 -0.258085D+01  0.280915D+01 -0.961827D+01
      2  -0.977454D+00 -0.271309D+01 -0.354277D+00 -0.145737D+00 -0.304139D+01
      3  -0.792656D+01 -0.106219D+02 -0.935517D+01 -0.496645D+01  0.576572D+01
               101           102           103           104           105 
      1   0.973842D+00 -0.554936D+01  0.198270D+01  0.119282D+02 -0.490990D+01
      2  -0.118472D+01 -0.634137D+00 -0.550971D-01  0.336890D+01  0.394745D-01
      3  -0.854543D+00  0.817160D+01  0.421238D+01  0.771960D+00 -0.594914D+01
               106           107           108           109           110 
      1  -0.344599D+01 -0.361956D+01 -0.247476D+01  0.377978D+01  0.519222D+01
      2  -0.366250D+01 -0.126203D+01 -0.746860D+00 -0.198507D+02  0.163453D+02
      3   0.126779D+02 -0.647071D+01  0.495168D+01  0.243148D+02 -0.216762D+02
               111           112           113           114           115 
      1  -0.375703D+01  0.811170D+01 -0.211724D+02 -0.127763D+00 -0.126268D+02
      2   0.130940D+02  0.358637D+01  0.201515D+01  0.740448D+01 -0.824166D+01
      3  -0.153592D+02  0.499114D+01 -0.207872D+02 -0.537886D+01 -0.615734D+01
               116           117           118           119           120 
      1   0.237760D+02  0.160047D+02  0.103509D+01  0.116377D+01 -0.156323D+01
      2   0.198796D+02  0.159711D+02  0.888909D+00  0.140035D+01 -0.555464D+00
      3  -0.440357D+01 -0.369531D+01  0.591210D+01  0.336239D+01 -0.237940D+01
               121           122           123           124           125 
      1   0.492938D+00  0.487272D+01 -0.503714D+01  0.134256D+00 -0.395180D+01
      2   0.831104D+00  0.530314D+01 -0.387004D+01 -0.166253D+01 -0.530624D+01
      3   0.403279D+01  0.129863D+02 -0.546560D+01 -0.387206D+01 -0.872745D+01
               126           127           128           129           130 
      1   0.633326D+01 -0.271152D+01  0.154557D+01  0.323259D+01  0.823647D+00
      2   0.704014D+01 -0.252450D+01  0.266908D+01  0.495883D+01  0.122258D+01
      3   0.518958D+01 -0.475856D+01 -0.244408D+01  0.540676D+00 -0.753826D+00
               131           132           133           134           135 
      1  -0.232427D+00 -0.262287D+01  0.218284D+01 -0.631728D+00 -0.435203D+01
      2  -0.130686D+01 -0.329752D+01  0.859121D+00 -0.217052D+01 -0.617401D+01
      3   0.412293D+01  0.820736D+00  0.359013D+01 -0.494279D+00  0.257109D+00
               136           137           138           139           140 
      1   0.105959D+00 -0.257461D+00 -0.900708D-01 -0.186527D+00 -0.334350D+00
      2  -0.277214D+01 -0.247598D+01  0.352541D+01 -0.325371D+01 -0.558178D+01
      3  -0.568866D+01 -0.396202D+01  0.220091D+01 -0.326805D+01 -0.130417D+02
               141           142           143           144           145 
      1  -0.102718D+01 -0.224255D+00  0.157730D+01 -0.537682D+00  0.891706D+00
      2   0.532269D+01  0.401435D+01  0.522190D+01 -0.934226D+01  0.472755D+01
      3   0.550526D+01  0.338905D+01  0.874741D+01 -0.503065D+01 -0.130110D+01
               146           147           148           149           150 
      1   0.721804D+00  0.127741D+01  0.211532D+00 -0.258381D+00 -0.571412D+00
      2  -0.506636D+00  0.722174D+01 -0.200771D+01  0.139906D+00 -0.132670D+01
      3  -0.528829D+01 -0.280355D+00 -0.365469D+01  0.204018D+01 -0.936128D+00
               151           152           153           154           155 
      1   0.133809D+00  0.141649D+01  0.127499D+01 -0.684186D+01 -0.219862D+01
      2   0.287812D+01 -0.206412D+00  0.728384D+01  0.141530D+01  0.553102D+00
      3   0.285949D+01 -0.216649D+01 -0.195195D+00  0.144160D+02  0.838523D+00
               156           157           158           159           160 
      1  -0.569272D+01 -0.134255D+01 -0.167217D+01 -0.184102D+01 -0.640707D+01
      2   0.261917D+01  0.238276D+00  0.615765D+00  0.286513D+00  0.201751D+00
      3   0.596275D+01  0.146635D+01  0.470397D+01  0.622900D+00  0.956592D+01
               161           162           163           164           165 
      1  -0.211231D+01 -0.934095D+01 -0.680866D-01 -0.450604D+00 -0.671804D+00
      2   0.123378D+01  0.198949D+01  0.795618D-01  0.679888D+00  0.331381D+00
      3   0.903469D+00  0.518191D+01  0.476248D+00  0.411759D+01 -0.113762D+01
               166           167           168           169           170 
      1   0.992285D+00  0.495599D+01 -0.734751D+01 -0.942079D+00 -0.264153D+01
      2   0.697929D+00 -0.743905D+00  0.586816D+00 -0.121264D+01  0.973236D+00
      3   0.553580D+01 -0.108586D+01  0.851328D-02 -0.135408D+01  0.333137D+01
               171           172           173           174           175 
      1   0.726694D+01  0.661293D+01 -0.526012D+00  0.503863D+01  0.157345D+00
      2  -0.673089D+00  0.332936D+01 -0.406620D+00  0.398762D+01  0.151778D-01
      3   0.221504D+00 -0.141824D+02 -0.170735D+01 -0.588462D+01 -0.118091D+01
               176           177           178           179           180 
      1   0.931158D+00 -0.523594D+00  0.630304D+01 -0.207948D+00  0.837875D+01
      2   0.749881D+00  0.194657D+00  0.216164D+01 -0.126470D+01  0.419814D+01
      3  -0.458781D+01 -0.907988D+00 -0.943729D+01 -0.141106D+01 -0.506694D+01
               181           182           183           184           185 
      1  -0.329012D+00  0.778422D+00  0.228504D+01  0.229073D+01 -0.417693D+01
      2   0.256333D+00 -0.127424D+00  0.114439D+01  0.173525D+00 -0.212976D+01
      3  -0.261217D+01  0.296396D+01  0.931748D+00  0.457049D+01  0.321188D+01
               186           187           188           189           190 
      1  -0.666029D+01  0.179114D+01 -0.197723D+01 -0.692450D+01  0.119648D+01
      2  -0.223632D+01 -0.468908D+00 -0.181032D+01 -0.251220D+01 -0.439662D+01
      3   0.213244D+00  0.442310D+00  0.354711D+01 -0.246576D+00  0.791233D+01
               191           192           193           194           195 
      1  -0.986612D+00 -0.836129D+00 -0.115659D+01  0.130541D+01  0.167079D+00
      2   0.240614D+01  0.454515D+01  0.325812D+01 -0.389559D+01 -0.444328D+01
      3  -0.509073D+01 -0.339973D+01 -0.458418D+01  0.111918D+02  0.482745D+01
               196           197           198           199           200 
      1  -0.146000D+01  0.254637D+01  0.290706D+01 -0.196001D+01 -0.364179D-01
      2   0.490977D+01 -0.361326D+01 -0.901029D+01  0.341227D+01  0.151427D+01
      3  -0.540314D+01  0.750021D+01  0.509435D+01  0.335651D+01 -0.380758D+01
               201           202           203           204           205 
      1  -0.265871D+01 -0.826148D+00  0.198518D+00 -0.160535D+01 -0.120283D+01
      2   0.598655D+01  0.264784D+01  0.104752D+01  0.268915D+01  0.250918D+01
      3   0.487660D+00 -0.219276D+01 -0.402646D+01 -0.816595D+00 -0.209804D+01
               206           207           208           209           210 
      1   0.999837D+00 -0.314418D+01 -0.207475D+01  0.243070D+01  0.300058D+01
      2   0.128564D+01  0.683453D+01  0.127699D+01 -0.168798D+01 -0.738607D+00
      3  -0.278009D+01  0.198039D+00 -0.826633D+01  0.454780D+01  0.364124D+01
               211           212           213           214           215 
      1   0.166119D+01 -0.516773D+01 -0.512350D+01  0.154282D+01 -0.490944D+01
      2  -0.132563D+01  0.323558D+01  0.230909D+01 -0.255606D+01  0.352863D+01
      3   0.510368D+01 -0.108430D+02 -0.461683D+01  0.585668D+01 -0.730583D+01
               216           217           218           219           220 
      1  -0.786567D+01  0.214076D+01  0.244200D+01 -0.345581D+01  0.141260D+01
      2   0.516594D+01 -0.672483D+00 -0.189049D+01  0.322057D+01 -0.875483D+00
      3  -0.510498D+01  0.527294D+01  0.134122D+00 -0.801366D+00  0.140373D+01
               221           222           223           224           225 
      1   0.147589D+01 -0.433826D+01 -0.200936D+01 -0.171354D+01  0.569922D+01
      2  -0.206734D+01  0.348423D+01 -0.150964D+00  0.198767D+01 -0.479277D+01
      3  -0.456970D+01  0.856752D+00 -0.324418D+01 -0.128373D+01 -0.256588D+00
               226           227           228           229           230 
      1   0.662424D+00  0.483426D+01 -0.589759D-01  0.105438D+01 -0.135390D+01
      2  -0.569912D+01  0.541591D+01 -0.269475D+01  0.363357D+01 -0.352373D+01
      3  -0.716964D+01  0.773172D+01 -0.461976D+01  0.572456D+01 -0.518456D+01
               231           232           233           234           235 
      1  -0.126971D+01  0.135829D+01 -0.681718D+00  0.103033D+01  0.200499D+01
      2   0.276809D+01 -0.257284D+01  0.129516D+01 -0.237137D+01  0.568342D+00
      3   0.282049D+01 -0.116181D+01  0.113173D+01 -0.285798D+01  0.154343D+01
               236           237           238           239           240 
      1  -0.138516D+01 -0.343239D+01 -0.308252D+01 -0.307627D+01  0.609199D+01
      2   0.173322D+00  0.577200D+00 -0.155729D+01 -0.152185D+01 -0.857602D-01
      3  -0.154553D+01 -0.191743D+01 -0.230485D+01 -0.352007D+01  0.308328D+01
               241           242           243           244           245 
      1  -0.271294D+01  0.114006D+01  0.114877D+02 -0.135419D+01  0.267599D+01
      2  -0.162548D+01 -0.113177D+00 -0.276014D+01  0.590082D+00  0.464665D+00
      3  -0.232092D+01 -0.186981D+00  0.249602D+01  0.199720D+01 -0.425422D+01
               246           247           248           249           250 
      1  -0.158317D+01  0.546100D+01 -0.773248D+01  0.319233D+01 -0.432173D+00
      2   0.168115D+01  0.361169D+01  0.111010D+01 -0.113612D+01  0.478487D+00
      3   0.156415D+01 -0.636254D+01  0.103345D+02 -0.525980D+01  0.790045D+00
               251           252           253           254           255 
      1   0.231750D+01 -0.198546D+01 -0.268806D+01 -0.127564D+01 -0.136686D+01
      2  -0.221645D+01  0.158585D+01 -0.318174D+01 -0.110870D+01 -0.471188D+01
      3  -0.137032D+01  0.285125D+01  0.412673D+01  0.694823D+00  0.242541D+01
               256           257           258           259           260 
      1   0.902286D+00  0.157385D+01  0.769165D+00  0.422357D+00  0.225329D+01
      2  -0.133588D-01  0.248516D+01  0.491893D+01 -0.597759D+00  0.236621D+01
      3  -0.807113D-01 -0.218888D+01 -0.271220D+01 -0.789312D+00 -0.221373D+01
               261           262           263           264           265 
      1   0.401487D+00 -0.519109D+01 -0.261255D+01  0.379640D+01 -0.229187D+01
      2   0.118073D+02  0.697403D+01 -0.145559D-01 -0.945057D+00  0.418830D+01
      3  -0.247170D+01 -0.114689D+02 -0.315353D+01  0.478218D+01 -0.520458D+01
               266           267           268           269           270 
      1  -0.232784D+01  0.527419D+00  0.277555D+01  0.179859D+01 -0.256676D+01
      2  -0.179539D+01 -0.110875D+01 -0.417627D-01 -0.108280D+00  0.313219D+00
      3  -0.739451D+00  0.266013D+01  0.159001D+01  0.443103D+00 -0.288743D+01
               271           272           273           274           275 
      1  -0.432271D+00 -0.198819D+00 -0.377656D+01 -0.889300D+00  0.527186D-01
      2  -0.913038D-02 -0.458822D+01 -0.586347D+01 -0.228410D+01  0.129087D+01
      3  -0.557208D+00  0.347847D+01  0.360112D+01  0.277243D+01 -0.137365D+01
               276           277           278           279           280 
      1  -0.341714D+00 -0.522058D+00  0.423064D+00 -0.809467D+01  0.413172D+01
      2   0.246847D+00 -0.236084D+01 -0.234002D+01 -0.859174D+01  0.871123D+01
      3   0.153261D+00  0.971838D+00  0.217903D+01  0.249786D+01  0.127382D+02
               281           282           283           284           285 
      1  -0.217031D+01 -0.334230D+01 -0.776447D+00  0.188779D+01 -0.667801D+00
      2   0.193730D+01 -0.211658D+01 -0.200050D+01 -0.181989D+01  0.644758D+00
      3   0.430641D-01 -0.527493D+01 -0.196902D+01 -0.612251D+00  0.131396D+01
               286           287           288           289           290 
      1  -0.302523D+01  0.974991D+00  0.241141D+01  0.102868D+01 -0.101468D+01
      2  -0.911421D+00  0.311901D+00  0.950873D+00 -0.131786D+01  0.373342D+01
      3  -0.169651D+01 -0.121651D-01  0.291264D+01 -0.858253D+00  0.290193D+01
               291           292           293           294           295 
      1   0.496145D+01 -0.109326D+01 -0.102786D+01  0.105335D+01  0.111492D+01
      2  -0.442471D+01  0.137541D+01  0.268258D+01 -0.142767D+01 -0.265824D+01
      3  -0.350594D+01  0.218170D+01  0.282233D+01 -0.720541D+00 -0.149302D+01
               296           297           298           299           300 
      1   0.198876D+00  0.998849D+01 -0.715030D+00  0.588676D+00  0.369720D+00
      2   0.167577D+01 -0.619719D+01  0.152310D+01 -0.118820D+00  0.152307D+01
      3   0.180753D+01 -0.245591D+01  0.964449D-01 -0.150259D+01 -0.193777D+00
               301           302           303           304           305 
      1   0.403950D+01  0.909825D+01  0.290226D+01 -0.274350D-01  0.165825D+01
      2  -0.254811D+01  0.244763D+01  0.239845D+01 -0.134664D+00  0.276454D+01
      3  -0.346099D+01 -0.125010D+02 -0.540061D+01 -0.526744D+00 -0.150466D+01
               306           307           308           309           310 
      1   0.160274D+01  0.314973D+01 -0.183623D+00  0.188863D+01  0.216638D+01
      2   0.205521D+01 -0.223132D+01 -0.320201D+00 -0.295219D+01 -0.910513D+00
      3  -0.291691D+01 -0.378805D+01 -0.802568D+00 -0.167845D+01 -0.155955D+01
               311           312           313           314           315 
      1  -0.194220D+01  0.256184D+01 -0.100985D+01  0.263074D+01 -0.337196D+01
      2   0.204182D+01 -0.547638D+01 -0.172562D+00 -0.183171D+01  0.112969D+02
      3   0.198799D+01 -0.322790D+01  0.136124D+01 -0.192514D+01  0.249486D+01
               316           317           318           319           320 
      1  -0.113910D+01  0.511027D+01  0.948130D+00  0.101796D+01  0.398120D+01
      2  -0.365916D+01 -0.421260D+01 -0.177825D+01 -0.334753D+01 -0.502805D+01
      3   0.359830D+01  0.731513D+01  0.384180D+01  0.522507D+01  0.855508D+01
               321           322           323           324           325 
      1  -0.297294D+00 -0.482644D+00 -0.506284D+00 -0.400754D+00 -0.543317D+00
      2  -0.359586D+01 -0.239370D+01 -0.209546D+01 -0.251151D+01 -0.657193D-01
      3   0.396682D+01  0.870994D+00  0.140388D+01  0.278696D+01 -0.271564D+00
               326           327           328           329           330 
      1  -0.236057D+01  0.160834D+01 -0.435022D+01  0.178495D+01  0.641705D+01
      2  -0.403686D+00  0.952731D+00  0.874756D+00 -0.606255D+00  0.192128D+01
      3  -0.252018D+01  0.111271D+01 -0.324559D+01  0.219958D+01  0.343534D+01
               331           332           333 
      1   0.265346D+01  0.177231D+01 -0.104033D+02
      2  -0.101250D+01  0.184692D+00 -0.555609D+01
      3   0.232755D+01  0.369548D+00 -0.248195D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.280216D+01 -0.280319D+01 -0.887215D+00 -0.657383D+00  0.552423D+01
      2  -0.356979D+01 -0.700439D+00  0.128243D+02  0.137875D+00 -0.122652D+02
      3   0.767639D+00  0.350363D+01 -0.119371D+02  0.519508D+00  0.674097D+01
      4  -0.680390D+01 -0.131473D+02  0.171474D+02 -0.859351D+01 -0.138070D+02
      5   0.685743D+01  0.137323D+02 -0.342863D+01  0.136564D+02  0.519008D+01
      6   0.893671D+01  0.168442D+02 -0.105208D+01  0.166645D+02  0.684631D+00
                 6             7             8             9            10 
      1   0.149835D+02 -0.439171D+01  0.155249D+02  0.751942D+01 -0.203752D+02
      2  -0.948425D+01  0.148712D+02 -0.109279D+02 -0.113275D+02  0.129278D+02
      3  -0.549926D+01 -0.104795D+02 -0.459698D+01  0.380810D+01  0.744739D+01
      4   0.139604D+02  0.195255D+02  0.183143D+02 -0.830990D+01 -0.124258D+02
      5  -0.823440D+01 -0.311245D+01 -0.101982D+02  0.188869D+01 -0.127940D+02
      6  -0.101843D+02 -0.269165D+01 -0.154288D+02  0.132407D+01 -0.937667D+01
                11            12            13            14            15 
      1  -0.796123D+00 -0.481434D+01 -0.522036D+01 -0.447478D+01 -0.202616D+02
      2   0.188194D+01 -0.361683D+01  0.299588D+01  0.434955D+01  0.102040D+02
      3  -0.108582D+01  0.843118D+01  0.222448D+01  0.125228D+00  0.100576D+02
      4  -0.579682D+01 -0.206717D+02 -0.999592D+01  0.936310D+00 -0.582455D+01
      5  -0.192141D+02 -0.122136D+02 -0.193824D+02  0.609288D+00  0.118802D+01
      6  -0.745407D+01 -0.592343D+01 -0.748011D+01  0.310891D+00 -0.155209D+01
                16            17            18            19            20 
      1  -0.744609D+01 -0.227696D+02 -0.145225D+02  0.758499D+01  0.205738D+01
      2  -0.157252D+00  0.138367D+02  0.104905D+02 -0.542439D+01 -0.613513D+01
      3   0.760334D+01  0.893298D+01  0.403198D+01 -0.216060D+01  0.407776D+01
      4  -0.252865D+02 -0.564394D+01 -0.275895D+01  0.159844D+02  0.739084D+00
      5  -0.183835D+02  0.946983D+00 -0.183224D+01  0.972789D+01  0.116877D+02
      6  -0.648108D+01 -0.874016D+00 -0.150697D+01  0.378301D+01 -0.729006D+00
                21            22            23            24            25 
      1   0.303013D+01  0.491099D+01 -0.322679D+01  0.114959D+02 -0.986942D+00
      2  -0.209302D+01 -0.587644D+01  0.319802D+01 -0.190294D+01 -0.795525D+00
      3  -0.937106D+00  0.965450D+00  0.287721D-01 -0.959301D+01  0.178247D+01
      4   0.134155D+02  0.471265D+01  0.703200D+01  0.103074D+01  0.753049D+01
      5   0.724754D+01  0.107388D+02 -0.404772D+01  0.162738D+01  0.434337D+01
      6   0.438206D+01 -0.153192D+01  0.152226D+01 -0.180302D+01  0.246266D+01
                26            27            28            29            30 
      1   0.105120D+02  0.669412D+01 -0.139017D+02 -0.335709D-01  0.505922D+01
      2  -0.324676D+01  0.183333D+00  0.310334D+01  0.637104D-01 -0.504094D+01
      3  -0.726520D+01 -0.687745D+01  0.107983D+02 -0.301394D-01 -0.182821D-01
      4  -0.281661D+00  0.671933D-01 -0.271261D-01 -0.849963D+01  0.199465D+01
      5  -0.611999D+00 -0.280175D+01  0.249823D+01  0.101835D+01 -0.353489D+01
      6  -0.133040D+01 -0.531120D+01  0.992835D+00 -0.254574D+01  0.205672D-01
                31            32            33            34            35 
      1  -0.177458D-01  0.301599D+01  0.204975D+01  0.749360D+01  0.305596D+01
      2   0.338925D-01 -0.137374D+02 -0.204107D+01 -0.747943D+01 -0.303713D+01
      3  -0.161467D-01  0.107214D+02 -0.867769D-02 -0.141695D-01 -0.188382D-01
      4  -0.846581D+01  0.608736D-01 -0.504847D+01  0.303353D+01 -0.748729D+01
      5   0.975231D+00 -0.253531D+01  0.209774D-01  0.343601D+01  0.226626D-01
      6  -0.256268D+01 -0.109765D+01 -0.349708D+01 -0.562949D-02  0.342533D+01
                36            37            38            39            40 
      1   0.120570D+01  0.423298D+01 -0.285599D+01 -0.910322D+00 -0.535163D+01
      2   0.118555D+01 -0.537844D+01  0.285660D+01 -0.853249D+01  0.220190D+01
      3  -0.239124D+01  0.114546D+01 -0.606903D-03  0.944281D+01  0.314973D+01
      4   0.234812D-01  0.780314D+01  0.936568D+01 -0.758348D+01  0.537740D+01
      5  -0.137040D-01 -0.178870D+01 -0.257137D+01  0.498121D+00 -0.366594D+01
      6  -0.370168D-01 -0.227358D+01 -0.124222D+02  0.356714D+01 -0.130853D+02
                41            42            43            44            45 
      1   0.580258D+01 -0.499140D+01  0.150274D+01 -0.371647D+01  0.754583D+00
      2  -0.239200D+01  0.665183D+01 -0.817467D+01  0.723708D+01  0.618650D+01
      3  -0.341059D+01 -0.166043D+01  0.667194D+01 -0.352061D+01 -0.694108D+01
      4   0.137443D+02 -0.112190D+02 -0.495896D+01 -0.550464D+01  0.174452D+01
      5  -0.484749D+01  0.626052D+01 -0.455035D+00  0.381022D+01  0.581764D+01
      6  -0.188770D+01  0.511363D+01  0.796049D+00  0.338391D+01  0.134907D+01
                46            47            48            49            50 
      1   0.159943D+02  0.211628D+01  0.117781D+02 -0.265695D+01 -0.453961D+00
      2  -0.149768D+02  0.225377D+01 -0.844885D+01  0.377252D+01  0.187619D+01
      3  -0.101746D+01 -0.437005D+01 -0.332925D+01 -0.111558D+01 -0.142223D+01
      4  -0.104421D+02 -0.204764D+01 -0.945358D+01  0.827332D+00 -0.794628D+01
      5   0.145977D+02 -0.634265D+01  0.809160D+01 -0.518138D+01 -0.783564D+01
      6   0.729654D+00 -0.281425D+01 -0.180341D+01 -0.340663D+01 -0.425997D+01
                51            52            53            54            55 
      1  -0.836828D+01  0.525207D+01 -0.862506D+01  0.617807D+01 -0.251169D+02
      2  -0.553071D+00 -0.489306D+01  0.108765D+01  0.696990D+00  0.183419D+02
      3   0.892135D+01 -0.359010D+00  0.753741D+01 -0.687507D+01  0.677491D+01
      4  -0.500846D+01 -0.561044D+01 -0.526023D+01  0.150169D+01  0.547730D+01
      5   0.796309D+00  0.422471D+01  0.200194D+01 -0.411800D+01 -0.243431D+02
      6  -0.266443D+01 -0.999738D+00 -0.147515D+01  0.437334D+01  0.659308D+01
                56            57            58            59            60 
      1  -0.196461D+01 -0.203036D+02  0.337174D+01 -0.167282D+01  0.168693D+02
      2  -0.819496D+00  0.934134D+01 -0.314689D+01  0.130042D+01 -0.921041D+01
      3   0.278410D+01  0.109623D+02 -0.224844D+00  0.372404D+00 -0.765891D+01
      4  -0.233041D+01  0.167182D+02 -0.462983D+01 -0.508919D+01  0.676286D+01
      5   0.142341D+02 -0.129565D+02  0.144223D+02  0.967581D+01 -0.393251D+01
      6  -0.641135D+00  0.309139D+01 -0.571579D+00 -0.965798D+00 -0.111560D+01
                61            62            63            64            65 
      1  -0.248647D+02  0.178496D+02 -0.142764D+02 -0.467967D+01  0.865412D+01
      2   0.150445D+02 -0.109761D+02  0.102842D+02  0.243723D+01 -0.396695D+01
      3   0.982012D+01 -0.687348D+01  0.399220D+01  0.224244D+01 -0.468717D+01
      4   0.189081D+02  0.916069D+01 -0.385203D+01  0.128390D+02 -0.122536D+02
      5  -0.185982D+02 -0.569149D+01 -0.218654D+01  0.175996D+02 -0.148662D+02
      6   0.182431D+01 -0.580939D+00  0.989264D+00 -0.129838D+02  0.967565D+01
                66            67            68            69            70 
      1   0.134301D+02  0.492501D+01  0.938790D+00 -0.177990D+02  0.125714D+02
      2  -0.161687D+00 -0.317374D+01 -0.595990D+01  0.155320D+02 -0.924286D+00
      3  -0.132684D+02 -0.175127D+01  0.502111D+01  0.226701D+01 -0.116472D+02
      4  -0.197898D+02 -0.833987D+01  0.105073D+02  0.131505D+01 -0.240872D+02
      5  -0.626180D+01 -0.146180D+02 -0.334494D+01  0.944314D+01 -0.760030D+01
      6   0.209047D+01  0.929597D+01  0.655985D+01 -0.757293D+01  0.517081D+01
                71            72            73            74            75 
      1  -0.208695D+02  0.205256D+01  0.769736D+01 -0.318703D+01 -0.740261D+01
      2   0.190291D+02 -0.607019D+01 -0.934520D+01  0.190117D+01 -0.133763D+01
      3   0.184040D+01  0.401763D+01  0.164783D+01  0.128586D+01  0.874025D+01
      4   0.382284D+01  0.123516D+02 -0.871997D+01  0.976745D+01  0.987785D+01
      5   0.128405D+02  0.242725D+01 -0.558295D+01  0.549072D+01  0.311918D+01
      6  -0.117656D+02 -0.954474D+00  0.720282D+01 -0.961823D+01 -0.403939D+01
                76            77            78            79            80 
      1   0.120718D+01  0.116517D+02  0.814436D+01 -0.290319D+01  0.496666D+01
      2   0.716028D+00 -0.780078D+01 -0.121194D+02 -0.257598D+01 -0.101275D+02
      3  -0.192321D+01 -0.385093D+01  0.397500D+01  0.547917D+01  0.516080D+01
      4   0.675069D+01 -0.568582D+01 -0.456840D+01  0.689996D+01 -0.240756D+00
      5   0.673547D+01 -0.190263D+01 -0.674235D+01  0.858039D+00 -0.444663D+01
      6  -0.100241D+02 -0.493976D+01  0.236596D+01 -0.135902D+01  0.208484D+01
                81            82            83            84            85 
      1   0.182493D+01 -0.212004D+01 -0.555846D+00  0.652913D+01 -0.308507D+01
      2   0.499430D+01  0.487695D+01  0.123350D+01  0.120042D+01  0.686057D+01
      3  -0.681924D+01 -0.275691D+01 -0.677653D+00 -0.772955D+01 -0.377550D+01
      4  -0.279966D+01 -0.770320D+01  0.915388D+00  0.683692D+01 -0.485013D-01
      5   0.598163D+01  0.770104D+01  0.132372D+01 -0.208615D+01  0.101674D+01
      6   0.241431D+00  0.743731D+01 -0.158681D+01  0.362857D+01 -0.414088D+00
                86            87            88            89            90 
      1  -0.180624D+02  0.102159D+02  0.416381D+01  0.614646D+01  0.177503D+01
      2   0.178968D+02 -0.156969D+02  0.294173D+01 -0.831457D+01  0.529076D+01
      3   0.165591D+00  0.548091D+01 -0.710554D+01  0.216812D+01 -0.706578D+01
      4  -0.110057D+01  0.127290D+01  0.733242D+01  0.335108D+00  0.259935D+01
      5  -0.593233D+01  0.992376D+00 -0.843626D+00  0.411583D+00 -0.300094D+01
      6  -0.145281D+02  0.742029D+01  0.336768D+01  0.369651D+01  0.533336D+01
                91            92            93            94            95 
      1  -0.171202D+01  0.427657D+00 -0.266010D+00  0.349457D+01  0.181507D+02
      2   0.556389D-01 -0.183267D+01 -0.433172D+01 -0.786277D+01 -0.236851D+02
      3   0.165638D+01  0.140501D+01  0.459773D+01  0.436820D+01  0.553443D+01
      4  -0.639302D+01 -0.291163D+01 -0.138386D+02 -0.254284D+01 -0.525048D+01
      5  -0.318602D+01 -0.241392D+01 -0.229538D+01 -0.228320D+01  0.151661D+01
      6  -0.142279D+02 -0.351509D+01 -0.716491D+01 -0.315744D+01  0.293527D+02
                96            97            98            99           100 
      1  -0.160058D+02 -0.166398D+01 -0.222696D+02  0.659230D+01 -0.333381D+01
      2   0.283117D+02 -0.240656D+01  0.333738D+02 -0.107927D+02  0.218928D+00
      3  -0.123059D+02  0.407055D+01 -0.111042D+02  0.420042D+01  0.311488D+01
      4  -0.344282D+01 -0.165925D+02 -0.195158D+01 -0.961955D+01  0.731702D+01
      5   0.142280D+00 -0.297190D+01 -0.253534D+01 -0.477532D+00 -0.715111D+01
      6  -0.117359D+02 -0.100780D+02 -0.166375D+02  0.207432D+01  0.115491D+02
               101           102           103           104           105 
      1  -0.367165D+01 -0.109500D+02 -0.600866D+01  0.116679D+02  0.125159D+02
      2   0.582104D+01  0.981261D+01  0.111681D+02 -0.158908D+02 -0.256050D+02
      3  -0.214939D+01  0.113739D+01 -0.515949D+01  0.422294D+01  0.130890D+02
      4  -0.483524D+01  0.105099D+02 -0.720316D+01  0.128408D+02  0.110558D+02
      5  -0.112311D+01 -0.452988D+01 -0.125378D+01  0.947149D+01  0.184382D+01
      6   0.802228D+01  0.899647D+01  0.806117D+01 -0.266911D+02 -0.954585D+01
               106           107           108           109           110 
      1  -0.144276D+02  0.164505D+02  0.713666D+00 -0.677957D+01  0.272613D+01
      2   0.132389D+02 -0.282534D+02 -0.468358D+01  0.103315D+02 -0.228131D+01
      3   0.118863D+01  0.118029D+02  0.396991D+01 -0.355189D+01 -0.444821D+00
      4   0.112633D+02  0.151014D+02  0.125222D+02  0.321119D+01  0.412217D+01
      5  -0.682840D+01  0.495341D+01  0.209030D+00  0.849448D+01  0.399009D+01
      6   0.124876D+02 -0.122630D+02 -0.230155D+01 -0.331464D+01 -0.625376D+01
               111           112           113           114           115 
      1   0.117064D+02  0.499873D+01 -0.150876D+02 -0.658489D+01  0.873169D+01
      2  -0.554038D+01 -0.777777D+01  0.138559D+02  0.138568D+02 -0.244154D+01
      3  -0.616598D+01  0.277904D+01  0.123167D+01 -0.727188D+01 -0.629015D+01
      4  -0.300805D+01  0.550384D+01 -0.634205D+01 -0.643113D+01 -0.495001D+01
      5  -0.258817D+00  0.408891D+01 -0.884064D+01 -0.317853D+01  0.493270D+00
      6  -0.586113D+01 -0.498970D+01  0.111356D+02  0.587826D+01 -0.429833D+01
               116           117           118           119           120 
      1  -0.320137D+01  0.339523D+01 -0.409789D+01 -0.729642D+01  0.217564D+01
      2   0.729052D+01  0.352823D+01  0.527116D+01  0.656868D+01 -0.309703D+01
      3  -0.408915D+01 -0.692346D+01 -0.117327D+01  0.727746D+00  0.921388D+00
      4  -0.480316D+01 -0.317490D+01 -0.243636D+01  0.399324D+01 -0.933696D-01
      5  -0.127922D+01 -0.169476D+01  0.767030D+00  0.132682D+01  0.697967D+00
      6   0.236991D+01 -0.580577D+01 -0.208086D+01 -0.226725D+01  0.143845D+01
               121           122           123           124           125 
      1  -0.591720D+01 -0.156544D+02  0.680290D+01  0.394364D+01  0.110000D+02
      2   0.169046D+01  0.287824D+02 -0.995684D+01 -0.183877D+01 -0.149402D+02
      3   0.422674D+01 -0.131280D+02  0.315394D+01 -0.210487D+01  0.394027D+01
      4   0.858493D+01 -0.203414D+02  0.553466D+01 -0.259516D+01  0.103058D+02
      5   0.834699D-01  0.681393D+01 -0.629480D+01  0.309421D+01 -0.908872D+01
      6  -0.655504D+00 -0.107870D+02  0.900217D+01 -0.124495D+01  0.124968D+02
               126           127           128           129           130 
      1  -0.647306D+01  0.343567D+02 -0.129625D+02 -0.108431D+02 -0.704233D+01
      2   0.775206D+01 -0.138237D+02  0.929860D+00  0.448572D+01 -0.364391D+01
      3  -0.127900D+01 -0.205330D+02  0.120327D+02  0.635736D+01  0.106862D+02
      4  -0.753331D+01 -0.331147D+02  0.226399D+02  0.137284D+02  0.221639D+02
      5   0.964572D+01 -0.204276D+02  0.111566D+02  0.139347D+02  0.905386D+01
      6  -0.118932D+02  0.106429D+02 -0.683393D+01 -0.697770D+01 -0.756088D+01
               131           132           133           134           135 
      1   0.439711D+01  0.258570D+01 -0.131130D+02  0.573829D+01  0.619910D+01
      2   0.706356D+01  0.109119D+01  0.630446D+01 -0.139843D+01 -0.407757D+01
      3  -0.114607D+02 -0.367689D+01  0.680854D+01 -0.433986D+01 -0.212153D+01
      4  -0.234160D+02 -0.101793D+02  0.191670D+02 -0.150534D+02 -0.158621D+02
      5  -0.901426D+01 -0.735283D+01  0.195515D+02 -0.133566D+02 -0.190023D+02
      6   0.746338D+01  0.764597D+01 -0.111936D+02  0.112794D+02  0.124785D+02
               136           137           138           139           140 
      1   0.227127D+02  0.868248D+01 -0.465905D+01  0.150575D+02  0.752684D+01
      2  -0.130187D+02 -0.451011D+01  0.313556D+01 -0.741738D+01 -0.287872D+01
      3  -0.969394D+01 -0.417237D+01  0.152349D+01 -0.764009D+01 -0.464812D+01
      4   0.794510D+01  0.724855D+01 -0.404081D+01  0.102707D+02  0.186425D+02
      5  -0.559085D+01 -0.420969D+01  0.743208D+01 -0.596346D+01 -0.867824D+01
      6  -0.131495D+01 -0.794573D+00  0.257378D+00 -0.100641D+01 -0.233001D+01
               141           142           143           144           145 
      1  -0.512857D+01 -0.111281D+02 -0.603004D+01  0.833692D+01  0.639856D+02
      2   0.236119D+01  0.692365D+01  0.481772D+01 -0.700682D+01 -0.367576D+02
      3   0.276738D+01  0.420448D+01  0.121232D+01 -0.133010D+01 -0.272279D+02
      4  -0.768621D+01 -0.695048D+01 -0.110163D+02  0.690574D+01 -0.160223D+02
      5   0.778532D+01  0.130786D+02  0.841365D+01 -0.151587D+02  0.289932D+02
      6   0.234244D+01  0.674100D+00  0.253748D+01 -0.149796D+01 -0.618171D+01
               146           147           148           149           150 
      1  -0.670925D+01  0.204416D+02 -0.800154D+01  0.824508D+01 -0.349755D+01
      2   0.272467D+01 -0.133900D+02  0.257789D+01 -0.354674D+01  0.161372D+01
      3   0.398458D+01 -0.705158D+01  0.542366D+01 -0.469834D+01  0.188382D+01
      4   0.101661D+02 -0.604106D+01  0.154789D+02 -0.728059D+01  0.492777D+01
      5  -0.472347D+01  0.181419D+02 -0.571798D+01  0.460574D+01 -0.316530D+01
      6   0.193781D+01 -0.341981D+01  0.395357D+01 -0.199906D+01  0.365912D+01
               151           152           153           154           155 
      1   0.282019D+02 -0.386341D+01  0.168659D+02  0.624585D+01 -0.409896D+01
      2  -0.202510D+02  0.209668D+01 -0.146902D+02  0.175274D+01  0.122998D+02
      3  -0.795088D+01  0.176673D+01 -0.217574D+01 -0.799858D+01 -0.820083D+01
      4  -0.954257D+01  0.433508D+01 -0.530710D+01  0.246198D+02  0.122299D+02
      5   0.276481D+02 -0.319399D+01  0.220296D+02  0.564097D+01  0.188654D+01
      6  -0.528600D+01  0.316506D+01 -0.464777D+01  0.101240D+02  0.446382D+01
               156           157           158           159           160 
      1   0.176459D+01 -0.359513D+01 -0.518344D+01 -0.124458D+01  0.101643D+01
      2   0.141905D+01  0.841452D+01  0.114479D+02  0.213781D+01  0.130960D+01
      3  -0.318364D+01 -0.481939D+01 -0.626441D+01 -0.893236D+00 -0.232603D+01
      4   0.986149D+01  0.730263D+01  0.102896D+02  0.313135D+01  0.147986D+02
      5   0.483270D+01  0.112598D+01  0.184186D+01  0.950061D+00  0.568175D+01
      6   0.860481D+01  0.255388D+01  0.319130D+01  0.489561D+01  0.106045D+02
               161           162           163           164           165 
      1  -0.257008D+01 -0.232673D+01 -0.448828D+01  0.419586D+00  0.151502D+00
      2   0.636311D+01  0.363942D+01  0.846277D+01  0.679022D+00 -0.245566D+00
      3  -0.379303D+01 -0.131268D+01 -0.397449D+01 -0.109861D+01  0.940635D-01
      4   0.707570D+01  0.994500D+01  0.220310D+01  0.136252D+02 -0.397995D+01
      5   0.272719D+01  0.551620D+01 -0.205193D+00 -0.279992D+01  0.303964D+01
      6   0.999064D+01  0.143770D+02 -0.399327D+01 -0.630437D+00  0.116417D+01
               166           167           168           169           170 
      1  -0.199983D+01 -0.397680D+02  0.144963D+02  0.199584D+01  0.220851D+02
      2   0.448296D+01  0.676421D+02 -0.217244D+02 -0.239783D+01 -0.302943D+02
      3  -0.248313D+01 -0.278740D+02  0.722803D+01  0.401990D+00  0.820918D+01
      4   0.907823D+01  0.660088D+01 -0.247507D+01 -0.328562D+01 -0.340636D+01
      5  -0.104688D+01 -0.797839D+00  0.716271D+00  0.274054D+01  0.154544D+01
      6  -0.199128D+01 -0.306375D+02  0.186866D+02  0.367634D+01  0.281463D+02
               171           172           173           174           175 
      1  -0.151789D+02  0.176455D+02  0.160499D+01  0.645593D+01  0.375960D+01
      2   0.173789D+02 -0.667982D+01 -0.855961D+01 -0.329817D+01 -0.738422D+01
      3  -0.220008D+01 -0.109657D+02  0.695462D+01 -0.315776D+01  0.362462D+01
      4   0.350542D+01 -0.255220D+02  0.113329D+02 -0.888904D+01  0.594174D+01
      5  -0.130230D+01  0.866031D+01 -0.118840D+01  0.710023D+01 -0.147925D+00
      6  -0.223909D+02 -0.927221D+01  0.181141D+01 -0.792809D+01  0.417117D+00
               176           177           178           179           180 
      1   0.950156D+00  0.114602D+01  0.835331D+01  0.568722D+00  0.281940D+01
      2   0.250308D+01 -0.122937D+01 -0.513278D+01 -0.360829D+01 -0.151700D+01
      3  -0.345324D+01  0.833564D-01 -0.322053D+01  0.303957D+01 -0.130241D+01
      4  -0.799801D+01  0.129812D+01 -0.147181D+02  0.474472D+01 -0.101019D+02
      5   0.180703D+01 -0.470183D+00  0.914484D+01 -0.295590D+01  0.887696D+01
      6  -0.151210D+01  0.266679D+01 -0.107230D+02  0.651554D+01 -0.123691D+02
               181           182           183           184           185 
      1  -0.190103D+01  0.428710D+00  0.116504D+01  0.448804D+01 -0.302875D+02
      2   0.831559D+01 -0.736325D+01 -0.309057D+01 -0.127332D+02  0.558911D+02
      3  -0.641456D+01  0.693454D+01  0.192553D+01  0.824516D+01 -0.256037D+02
      4  -0.119730D+02  0.172804D+02  0.606710D+01  0.149490D+02 -0.253978D+02
      5  -0.265971D+01  0.436354D+01  0.448133D+01  0.307860D+01 -0.706290D+01
      6   0.564858D+01 -0.626739D+01 -0.491964D+01 -0.798578D+01  0.274158D+02
               186           187           188           189           190 
      1  -0.110366D+02  0.440108D+01 -0.162914D+02 -0.113067D+02  0.318225D+02
      2   0.180616D+02 -0.681887D+01  0.240116D+02  0.134851D+02 -0.192293D+02
      3  -0.702507D+01  0.241779D+01 -0.772020D+01 -0.217841D+01 -0.125932D+02
      4  -0.992248D+01  0.773071D+01 -0.141610D+02 -0.110378D+02 -0.692181D+00
      5  -0.448787D+01  0.564288D+01 -0.743077D+01 -0.696356D+01 -0.901417D+01
      6   0.172848D+02 -0.955760D+01  0.250606D+02  0.213119D+02 -0.449470D+00
               191           192           193           194           195 
      1  -0.730919D+01 -0.852589D+01 -0.141286D+02  0.928628D+01  0.640209D+01
      2   0.512011D+01  0.610642D+01  0.872351D+01 -0.729585D+01 -0.423075D+01
      3   0.218909D+01  0.241947D+01  0.540509D+01 -0.199043D+01 -0.217134D+01
      4   0.622084D+01  0.247616D+01  0.694180D+01 -0.114158D+02 -0.435507D+01
      5   0.416727D+01  0.891172D+01  0.602594D+01 -0.633561D+01 -0.601632D+01
      6   0.115941D+00  0.142439D+01  0.428842D+00  0.277705D+00  0.696992D+00
               196           197           198           199           200 
      1  -0.155548D+02  0.674235D+01  0.106108D+02  0.469665D+02  0.123245D+02
      2   0.112036D+02 -0.664926D+01 -0.934190D+01 -0.233152D+02 -0.343787D+01
      3   0.435114D+01 -0.930868D-01 -0.126890D+01 -0.236513D+02 -0.888661D+01
      4   0.319897D+01 -0.621419D+01 -0.234502D+01  0.301970D+02  0.165810D+02
      5   0.145234D+02 -0.528985D+01 -0.151669D+02  0.230977D+02  0.908408D+01
      6   0.247695D+01  0.976464D+00 -0.241563D+01  0.106467D+02  0.502235D+01
               201           202           203           204           205 
      1   0.147221D+02  0.108777D+02  0.699114D+01  0.447497D+01  0.194418D+02
      2  -0.829705D+01 -0.557836D+00  0.140310D+01 -0.940213D+00 -0.122337D+02
      3  -0.642507D+01 -0.103199D+02 -0.839425D+01 -0.353476D+01 -0.720808D+01
      4   0.117112D+02  0.214305D+02  0.176796D+02  0.864513D+01  0.180638D+02
      5   0.154912D+02  0.931749D+01  0.736893D+01  0.608581D+01  0.239865D+02
      6   0.647132D+01  0.712480D+01  0.575105D+01  0.609615D+01  0.106776D+02
               206           207           208           209           210 
      1   0.638793D+01  0.122101D+02 -0.735204D+01  0.835057D+01  0.382166D+01
      2  -0.274372D+01 -0.100873D+02  0.797738D+01 -0.108347D+02 -0.541448D+01
      3  -0.364421D+01 -0.212282D+01 -0.625342D+00  0.248413D+01  0.159282D+01
      4   0.100789D+02  0.123484D+02 -0.384328D+01  0.412837D+01  0.121682D+01
      5   0.863611D+01  0.202740D+02  0.636226D+00 -0.149852D+01  0.686880D-01
      6   0.677485D+01  0.101377D+02  0.367310D+01 -0.457889D+01 -0.366993D+01
               211           212           213           214           215 
      1   0.509891D+01 -0.205778D+02 -0.764888D+01  0.581094D+01 -0.130898D+02
      2  -0.420480D+01  0.343159D+02  0.104917D+02 -0.479384D+01  0.172889D+02
      3  -0.894111D+00 -0.137381D+02 -0.284279D+01 -0.101709D+01 -0.419909D+01
      4   0.635554D+01  0.105193D+02  0.118102D+01  0.286706D+01  0.334035D+01
      5  -0.671815D+00  0.349906D+01  0.384288D+01  0.114316D+01  0.612935D+01
      6  -0.276300D+01  0.108008D+02  0.951996D+01 -0.168010D+01  0.143354D+02
               216           217           218           219           220 
      1  -0.921037D+01  0.145502D+02  0.667493D+01 -0.372140D+01  0.127555D+01
      2   0.104494D+02 -0.981376D-01  0.608885D+01 -0.130599D+01  0.101521D+02
      3  -0.123907D+01 -0.144520D+02 -0.127638D+02  0.502738D+01 -0.114277D+02
      4   0.307201D+01  0.288194D+02  0.252719D+02 -0.126107D+02  0.222736D+02
      5   0.632314D+01 -0.124402D+02 -0.102588D+02  0.993851D+01 -0.806829D+01
      6   0.139210D+02 -0.102781D+02 -0.934797D+01  0.755429D+01 -0.963016D+01
               221           222           223           224           225 
      1  -0.660310D+01  0.189722D+01 -0.276031D+01  0.159277D+01 -0.227013D+01
      2   0.244118D+02 -0.704193D+01 -0.237418D+01 -0.718530D+01  0.427976D+01
      3  -0.178087D+02  0.514472D+01  0.513449D+01  0.559252D+01 -0.200963D+01
      4   0.319865D+02 -0.128115D+02 -0.162687D+02 -0.190982D+02  0.160183D+02
      5  -0.114150D+02  0.794040D+01  0.126672D+02  0.134488D+02 -0.149921D+02
      6  -0.146979D+02  0.115824D+02  0.113670D+02  0.175487D+02 -0.166865D+02
               226           227           228           229           230 
      1  -0.537701D+01  0.893387D+01 -0.653102D+01  0.599716D+01 -0.130886D+02
      2   0.477428D+01 -0.874974D+01  0.415160D+01 -0.499280D+01  0.169024D+02
      3   0.602730D+00 -0.184127D+00  0.237942D+01 -0.100436D+01 -0.381380D+01
      4  -0.102416D+02  0.207521D+01 -0.179171D+01  0.661240D+01 -0.456840D+01
      5   0.347700D+01 -0.181699D+01  0.115775D+01 -0.172667D+01  0.199490D+01
      6  -0.405700D+01  0.116756D+02 -0.820095D+01  0.554881D+01 -0.123024D+02
               231           232           233           234           235 
      1   0.725353D+01 -0.284079D+01  0.549880D+01 -0.690884D+01  0.162529D+01
      2  -0.590200D+01  0.162646D+01 -0.232562D+01  0.122574D+01 -0.462351D+01
      3  -0.135153D+01  0.121434D+01 -0.317317D+01  0.568310D+01  0.299822D+01
      4   0.331906D+01 -0.903783D+00  0.425438D+01 -0.326416D+01  0.268307D+01
      5  -0.648420D+00  0.198917D+01 -0.108165D+01  0.337802D+00 -0.608367D+01
      6   0.890972D+01 -0.445153D+01  0.692533D+01 -0.845143D+01 -0.201397D+01
               236           237           238           239           240 
      1   0.373780D+00 -0.644867D+00 -0.159839D+00  0.232585D+00 -0.116497D+01
      2   0.766708D+00  0.663026D+01  0.138376D+01 -0.404296D+01 -0.560764D+01
      3  -0.114049D+01 -0.598539D+01 -0.122392D+01  0.381037D+01  0.677261D+01
      4   0.233965D+01 -0.137989D+01 -0.233811D+01 -0.579760D+01  0.116725D+01
      5  -0.146356D+00  0.859334D+01  0.216090D+01  0.136114D+00 -0.430188D+01
      6   0.985309D-01  0.288730D+01  0.224686D+01  0.275001D+01 -0.683504D+00
               241           242           243           244           245 
      1   0.352294D+00  0.212395D+01 -0.105574D+02  0.967606D+01 -0.380325D+01
      2   0.499674D+01 -0.268160D+01 -0.170527D+02 -0.574700D+01  0.360017D+01
      3  -0.534904D+01  0.557645D+00  0.276101D+02 -0.392906D+01  0.203084D+00
      4  -0.285688D+01 -0.250977D+01  0.207241D+00 -0.792491D+01  0.755408D+01
      5   0.675819D+01  0.449008D+00 -0.152014D+02  0.665015D+01 -0.601529D+01
      6   0.249185D+01  0.429994D+01 -0.127325D+02 -0.316702D+01  0.279080D+01
               246           247           248           249           250 
      1   0.246008D+01 -0.929430D+01  0.170269D+01 -0.325193D+01 -0.739275D+00
      2  -0.312665D+01  0.833462D+01 -0.230115D+01  0.589618D+01 -0.201095D+01
      3   0.666572D+00  0.959688D+00  0.598459D+00 -0.264425D+01  0.275023D+01
      4  -0.494710D+01  0.535520D+01 -0.150647D+02  0.575303D+01 -0.495105D+01
      5   0.603548D+01 -0.117914D+02  0.758675D+01 -0.954983D+01  0.502240D+01
      6  -0.207919D+01  0.445136D+01 -0.656150D+01  0.393552D+01 -0.193780D+01
               251           252           253           254           255 
      1  -0.718773D+00 -0.101031D+01 -0.585774D+01  0.918128D+00  0.311970D+01
      2   0.271555D+01 -0.458199D+01  0.265147D+01  0.284198D+00  0.176013D+01
      3  -0.199677D+01  0.559230D+01  0.320626D+01 -0.120233D+01 -0.487983D+01
      4   0.328161D+01 -0.485950D+01 -0.340980D+01 -0.347158D+00 -0.117480D+01
      5  -0.526755D+01  0.791957D+01 -0.278023D+01 -0.891281D+00 -0.263855D+00
      6   0.366641D+01 -0.257727D+01  0.618644D+00 -0.140831D+00 -0.176853D+01
               256           257           258           259           260 
      1   0.282909D+01 -0.362366D+01 -0.647842D+01  0.275219D+01 -0.401230D+01
      2  -0.161998D+01 -0.501208D-01 -0.111687D+01 -0.358727D+01 -0.126991D+01
      3  -0.120911D+01  0.367378D+01  0.759529D+01  0.835090D+00  0.528221D+01
      4   0.403251D+01  0.356758D+01  0.353275D+01  0.192297D+01  0.325096D+01
      5   0.177447D+01  0.385952D+01  0.539860D+01  0.531000D+01  0.292350D+01
      6   0.148386D+01  0.539750D+01  0.840292D+01  0.873892D+00  0.584762D+01
               261           262           263           264           265 
      1  -0.165212D+02  0.188824D+02  0.336501D+01 -0.629032D+01  0.150494D+01
      2  -0.111719D+02 -0.166883D+02 -0.606629D+01  0.866130D+01 -0.341885D+01
      3   0.276930D+02 -0.219416D+01  0.270128D+01 -0.237097D+01  0.191391D+01
      4   0.183272D+01 -0.113478D+02  0.541257D+01  0.528364D+01  0.145318D+00
      5   0.163499D+02 -0.172637D+02  0.119805D+01  0.107748D+02 -0.423759D+01
      6   0.112815D+02  0.542182D+01 -0.239206D+01 -0.487214D+01  0.641005D+00
               266           267           268           269           270 
      1   0.552216D+01  0.101231D+00 -0.420416D+01  0.932711D+00  0.207725D+01
      2  -0.453004D+01  0.127128D+01  0.758977D+01 -0.149838D+01 -0.776163D+01
      3  -0.992125D+00 -0.137251D+01 -0.338561D+01  0.565667D+00  0.568438D+01
      4   0.131558D+01  0.127620D+01  0.168839D+01  0.756443D+00 -0.182770D+01
      5   0.424289D+00  0.272182D+01  0.798978D+01  0.100577D+01 -0.744613D+01
      6  -0.212287D+01 -0.823646D+00 -0.236443D+01  0.714898D+00  0.385736D+01
               271           272           273           274           275 
      1  -0.573576D+00 -0.582218D+01 -0.780179D+01 -0.139430D+01 -0.290259D+01
      2  -0.409960D+01  0.554840D+01 -0.107668D+01  0.124611D+01  0.585697D+00
      3   0.467318D+01  0.273789D+00  0.887847D+01  0.148190D+00  0.231689D+01
      4   0.429955D+01 -0.216473D+01  0.242507D+01 -0.299561D+00  0.184680D+01
      5   0.163533D+01 -0.103101D+01  0.227127D+01 -0.323693D+00  0.191547D+01
      6   0.172593D+01  0.563275D+01  0.798645D+01  0.249391D+01  0.321492D+01
               276           277           278           279           280 
      1  -0.253924D+01 -0.251075D+01 -0.594383D+01 -0.156974D+02  0.122816D+02
      2   0.790607D+00 -0.590982D+00  0.153913D+01 -0.119823D+02 -0.112563D+02
      3   0.174863D+01  0.310173D+01  0.440471D+01  0.276798D+02 -0.102530D+01
      4   0.139146D+01  0.320190D+01 -0.122662D+01  0.264573D+01  0.171190D+02
      5   0.749110D+00  0.366164D+01 -0.736033D+00 -0.350271D+01 -0.151014D+02
      6   0.576409D+01  0.126836D+01  0.755207D+01  0.196344D+02 -0.860450D+01
               281           282           283           284           285 
      1  -0.365904D+01 -0.242700D+01  0.471704D+00  0.417140D+01 -0.142268D+01
      2   0.635051D+01  0.502067D+01  0.139424D+01 -0.201444D+01  0.691650D+00
      3  -0.269148D+01 -0.259367D+01 -0.186594D+01 -0.215695D+01  0.731026D+00
      4   0.654524D+01 -0.830989D+01  0.318267D+01  0.285332D+01 -0.867530D+00
      5  -0.447093D+01  0.941786D+01 -0.113343D+00 -0.400213D+00  0.965856D-01
      6  -0.545639D+01  0.754205D+01 -0.125253D+01  0.102168D+01  0.564283D+00
               286           287           288           289           290 
      1  -0.227072D+01 -0.170491D+01  0.504746D+00 -0.752870D+00  0.629439D+01
      2   0.537542D+01  0.312011D+01 -0.619278D+01 -0.387988D+01 -0.668155D+01
      3  -0.310470D+01 -0.141520D+01  0.568804D+01  0.463275D+01  0.387160D+00
      4  -0.429669D+01 -0.117732D+01  0.410620D+01 -0.311035D+01  0.739737D+00
      5   0.725279D+01  0.793280D+00 -0.633551D+01  0.222402D+01 -0.589920D+00
      6   0.414799D+01  0.163252D+01 -0.570031D+01 -0.341593D+01  0.536963D+01
               291           292           293           294           295 
      1  -0.626563D+01  0.161470D+01  0.802479D-01  0.177406D+00 -0.230314D+01
      2  -0.264636D+01 -0.204314D+01 -0.252917D+01 -0.708300D+00 -0.180783D+01
      3   0.891199D+01  0.428436D+00  0.244892D+01  0.530895D+00  0.411096D+01
      4  -0.415877D+01  0.202601D+00 -0.210897D+01  0.100847D+01 -0.332235D+01
      5   0.467799D+01 -0.464868D+00  0.240529D+01 -0.101982D+01  0.405844D+01
      6  -0.812141D+01  0.226838D+01 -0.755858D+00  0.353140D+01 -0.218856D+01
               296           297           298           299           300 
      1   0.559921D+01 -0.140871D+02  0.276863D+01  0.191553D+01 -0.313120D+00
      2  -0.223222D+01 -0.135989D+02  0.499340D+00 -0.768827D+00  0.292670D+00
      3  -0.336699D+01  0.276859D+02 -0.326797D+01 -0.114670D+01  0.204494D-01
      4  -0.108302D+00 -0.318465D+01  0.654182D+01  0.645197D+01  0.369247D+01
      5  -0.160212D+00  0.157399D+01  0.189967D+01  0.415251D+01  0.313131D+01
      6   0.710435D+01 -0.198315D+02  0.211674D+01  0.264757D+01  0.184695D+01
               301           302           303           304           305 
      1   0.804337D+01 -0.401764D+01 -0.150187D+00 -0.284346D+01 -0.180230D+01
      2  -0.604904D+01  0.398188D+01 -0.261949D+01  0.650923D+00 -0.827058D+00
      3  -0.199432D+01  0.357554D-01  0.276968D+01  0.219254D+01  0.262936D+01
      4   0.701563D+01  0.181589D+02  0.846367D+01  0.363900D+01  0.480879D+01
      5   0.941460D+01  0.941706D+01  0.940813D+01  0.332135D+01  0.523091D+01
      6   0.573649D+01  0.108135D+02  0.697087D+01  0.187702D+01  0.562958D+01
               306           307           308           309           310 
      1  -0.363648D+01 -0.546207D+01 -0.168619D+01  0.132243D+01 -0.542179D+01
      2  -0.202986D+01  0.273128D+01  0.741832D+00  0.153821D+01  0.455379D+01
      3   0.566633D+01  0.273079D+01  0.944360D+00 -0.286064D+01  0.868000D+00
      4   0.517550D+01  0.106825D+00  0.549832D+00  0.162781D+00  0.338474D+01
      5   0.714702D+01 -0.173829D+01 -0.927357D+00  0.114794D+01 -0.395096D+01
      6   0.454186D+01 -0.181997D+01  0.694681D+00 -0.941590D-01  0.161621D+01
               311           312           313           314           315 
      1  -0.333385D+01  0.484996D+01  0.256039D+01  0.299815D+01 -0.152570D+02
      2  -0.959652D+00  0.371346D+01 -0.475143D+01  0.190760D+01 -0.124073D+02
      3   0.429350D+01 -0.856342D+01  0.219104D+01 -0.490576D+01  0.276643D+02
      4  -0.313590D+01  0.462497D+01 -0.106673D+01  0.340915D+01 -0.292637D+01
      5   0.432966D+01 -0.728252D+01  0.627403D+01 -0.282636D+01  0.186459D+02
      6  -0.382309D+01  0.695294D+01 -0.793095D+00  0.487853D+01 -0.680198D+01
               316           317           318           319           320 
      1  -0.566976D+01 -0.686939D+01 -0.443583D+01 -0.648646D+01 -0.174116D+02
      2   0.566913D+01  0.559199D+01  0.254165D+01  0.440666D+01  0.206363D+02
      3   0.625673D-03  0.127739D+01  0.189418D+01  0.207980D+01 -0.322465D+01
      4   0.548752D+01 -0.162348D+00 -0.879162D+00  0.526798D+01 -0.255190D+01
      5   0.239301D+01 -0.265520D+00 -0.511819D+00  0.113834D+01 -0.112969D+01
      6   0.109239D+01  0.879932D+01  0.568317D+01  0.293151D+01  0.161955D+02
               321           322           323           324           325 
      1  -0.953566D+01 -0.997218D+00 -0.756852D+01 -0.792503D+01  0.224343D+01
      2   0.762143D+01  0.700067D+00  0.420943D+01  0.233908D+01 -0.474853D+01
      3   0.191423D+01  0.297151D+00  0.335909D+01  0.558595D+01  0.250510D+01
      4  -0.475898D+00 -0.739120D+00  0.170274D+01  0.793374D+00 -0.519238D+00
      5  -0.176531D+01  0.906750D+00 -0.471871D+00 -0.175803D+01 -0.537543D+01
      6   0.105647D+02  0.278137D+01  0.788537D+01  0.821400D+01 -0.109764D+00
               326           327           328           329           330 
      1  -0.208050D+00 -0.110731D+01  0.252487D+01 -0.264848D+01  0.638124D+00
      2  -0.586367D+00  0.515378D+01 -0.336916D+01 -0.172116D+01  0.741239D+01
      3   0.794417D+00 -0.404647D+01  0.844287D+00  0.436964D+01 -0.805051D+01
      4   0.532218D+00 -0.469108D+00 -0.329261D+01  0.569807D+01 -0.312215D+00
      5  -0.143262D+01  0.772645D+01 -0.419798D+01 -0.348388D+00  0.643308D+01
      6   0.687617D+00 -0.741499D+00  0.217545D+01 -0.194491D+01  0.344705D+00
               331           332           333 
      1  -0.611667D+00 -0.736925D+00 -0.109110D+02
      2   0.564419D+01  0.260320D+01 -0.167626D+02
      3  -0.503252D+01 -0.186627D+01  0.276736D+02
      4   0.221119D+01 -0.293422D+01  0.139895D+01
      5   0.738351D+01  0.313719D+00 -0.179844D+02
      6  -0.171034D+01  0.376299D+01  0.848801D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 19:09:27 2021, MaxMem= 10737418240 cpu:           84772.5 elap:            5305.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -15.08854 -15.08851 -15.08851 -15.08849 -15.08848
 Alpha  occ. eigenvalues --  -15.08847 -10.88455 -10.88452 -10.88450 -10.88428
 Alpha  occ. eigenvalues --  -10.88425 -10.88423  -3.89484  -2.63006  -2.63004
 Alpha  occ. eigenvalues --   -2.62511  -1.50006  -1.48760  -1.48760  -1.45829
 Alpha  occ. eigenvalues --   -1.45827  -1.45709  -1.28280  -1.27958  -1.27955
 Alpha  occ. eigenvalues --   -1.16256  -1.15607  -1.15605  -1.08835  -1.08830
 Alpha  occ. eigenvalues --   -1.07328  -1.06724  -1.06721  -1.06193  -1.05776
 Alpha  occ. eigenvalues --   -1.04512  -1.04511  -0.98373  -0.98369  -0.97828
 Alpha  occ. eigenvalues --   -0.97357  -0.96812  -0.96811  -0.95112  -0.93641
 Alpha  occ. eigenvalues --   -0.93640  -0.89507  -0.89505  -0.88274  -0.88255
 Alpha  occ. eigenvalues --   -0.88252  -0.87493  -0.84888  -0.84885  -0.84882
 Alpha  occ. eigenvalues --   -0.83795  -0.83398  -0.83395
 Alpha virt. eigenvalues --   -0.38562  -0.38555  -0.34974  -0.34109  -0.32226
 Alpha virt. eigenvalues --   -0.32223  -0.28882  -0.28880  -0.28691  -0.26821
 Alpha virt. eigenvalues --   -0.26819  -0.24623  -0.24621  -0.24355  -0.23577
 Alpha virt. eigenvalues --   -0.23575  -0.23339  -0.22957  -0.21450  -0.21448
 Alpha virt. eigenvalues --   -0.21422  -0.20693  -0.19209  -0.18869  -0.18867
 Alpha virt. eigenvalues --   -0.17414  -0.17414  -0.17296  -0.17125  -0.16715
 Alpha virt. eigenvalues --   -0.16715  -0.15218  -0.15216  -0.14695  -0.14691
 Alpha virt. eigenvalues --   -0.14345  -0.13518  -0.13413  -0.12861  -0.12860
 Alpha virt. eigenvalues --   -0.12307  -0.12037  -0.12029  -0.10185  -0.10185
 Alpha virt. eigenvalues --   -0.09621  -0.08601  -0.08594  -0.08262  -0.08207
 Alpha virt. eigenvalues --   -0.08204  -0.08043  -0.07106  -0.07101  -0.05276
 Alpha virt. eigenvalues --   -0.05042  -0.05040  -0.04314  -0.03308  -0.03108
 Alpha virt. eigenvalues --   -0.03106  -0.02160  -0.02157  -0.02098  -0.00735
 Alpha virt. eigenvalues --   -0.00224  -0.00219  -0.00146  -0.00108  -0.00106
 Alpha virt. eigenvalues --    0.00834   0.00835   0.01900   0.02430   0.02919
 Alpha virt. eigenvalues --    0.02921   0.03623   0.03625   0.04252   0.04562
 Alpha virt. eigenvalues --    0.04685   0.04688   0.05512   0.05847   0.05848
 Alpha virt. eigenvalues --    0.06088   0.06092   0.06211   0.06904   0.07255
 Alpha virt. eigenvalues --    0.07736   0.07741   0.08544   0.08547   0.09246
 Alpha virt. eigenvalues --    0.09885   0.09892   0.10860   0.11088   0.11095
 Alpha virt. eigenvalues --    0.12591   0.12888   0.13491   0.13495   0.13551
 Alpha virt. eigenvalues --    0.13968   0.13969   0.14068   0.15136   0.15147
 Alpha virt. eigenvalues --    0.16312   0.17121   0.17122   0.17140   0.17650
 Alpha virt. eigenvalues --    0.17652   0.18434   0.18949   0.18955   0.19266
 Alpha virt. eigenvalues --    0.19268   0.19540   0.19824   0.19828   0.20940
 Alpha virt. eigenvalues --    0.20946   0.21423   0.21431   0.21524   0.21924
 Alpha virt. eigenvalues --    0.22308   0.22313   0.23489   0.24120   0.24122
 Alpha virt. eigenvalues --    0.24280   0.25220   0.25231   0.25714   0.26115
 Alpha virt. eigenvalues --    0.27940   0.27963   0.27971   0.29230   0.29233
 Alpha virt. eigenvalues --    0.30170   0.30491   0.30498   0.31017   0.32971
 Alpha virt. eigenvalues --    0.32974   0.33842   0.33845   0.34728   0.35700
 Alpha virt. eigenvalues --    0.36489   0.36492   0.36711   0.36713   0.38035
 Alpha virt. eigenvalues --    0.38170   0.39356   0.39357   0.39425   0.40871
 Alpha virt. eigenvalues --    0.41189   0.41192   0.41903   0.41912   0.43854
 Alpha virt. eigenvalues --    0.44499   0.44646   0.44653   0.47179   0.47188
 Alpha virt. eigenvalues --    0.47925   0.47935   0.49002   0.52151   0.52163
 Alpha virt. eigenvalues --    0.52216   0.54399   0.54407   0.55770   0.57872
 Alpha virt. eigenvalues --    0.57891   0.59469   0.61215   0.61933   0.61943
 Alpha virt. eigenvalues --    0.65212   0.65222   0.65326   0.65449   0.67168
 Alpha virt. eigenvalues --    0.67544   0.67558   0.68712   0.68714   0.69581
 Alpha virt. eigenvalues --    0.69586   0.69869   0.71801   0.72840   0.72841
 Alpha virt. eigenvalues --    0.73097   0.73109   0.73199   0.73505   0.76160
 Alpha virt. eigenvalues --    0.76161   0.78578   0.78579   0.79020   0.81001
 Alpha virt. eigenvalues --    0.81008   0.81445   0.82908   0.82918   0.83692
 Alpha virt. eigenvalues --    0.85636   0.85656   0.89103   0.89115   0.90127
 Alpha virt. eigenvalues --    0.90182   0.92237   0.92252   0.94937   0.96831
 Alpha virt. eigenvalues --    0.98964   0.98976   1.01194   1.01209   1.02726
 Alpha virt. eigenvalues --    1.03668   1.03687   1.05343   1.09187   1.09201
 Alpha virt. eigenvalues --    1.10224   1.13320   1.13329   1.17959   1.20287
 Alpha virt. eigenvalues --    1.20294   1.21303   1.21558   1.24929   1.24939
 Alpha virt. eigenvalues --    1.25402   1.25413   1.26935   1.26944   1.29278
 Alpha virt. eigenvalues --    1.30694   1.35759   1.37595   1.37601   1.39050
 Alpha virt. eigenvalues --    1.39080   1.39094   1.40556   1.40566   1.43061
 Alpha virt. eigenvalues --    1.43074   1.46449   1.46453   1.46994   1.50051
 Alpha virt. eigenvalues --    1.50327   1.50332   1.51272   1.52104   1.52107
 Alpha virt. eigenvalues --    1.52251   1.57020   1.58758   1.58770   1.60202
 Alpha virt. eigenvalues --    1.60550   1.61638   1.61640   1.61891   1.61903
 Alpha virt. eigenvalues --    1.63041   1.65176   1.65184   1.65901   1.67021
 Alpha virt. eigenvalues --    1.67030   1.69406   1.70434   1.71786   1.71792
 Alpha virt. eigenvalues --    1.73015   1.73030   1.74475   1.74480   1.75272
 Alpha virt. eigenvalues --    1.76264   1.77557   1.77561   1.78999   1.80359
 Alpha virt. eigenvalues --    1.81092   1.81102   1.82154   1.82172   1.82636
 Alpha virt. eigenvalues --    1.85187   1.85816   1.87056   1.87063   1.88373
 Alpha virt. eigenvalues --    1.88378   1.88837   1.90253   1.90263   1.90469
 Alpha virt. eigenvalues --    1.90485   1.91070   1.93184   1.93212   1.93218
 Alpha virt. eigenvalues --    1.95782   1.95794   2.00139   2.00165   2.02017
 Alpha virt. eigenvalues --    2.02087   2.03444   2.04973   2.04979   2.07106
 Alpha virt. eigenvalues --    2.07116   2.07496   2.09388   2.11808   2.11829
 Alpha virt. eigenvalues --    2.13115   2.13137   2.15270   2.15279   2.15934
 Alpha virt. eigenvalues --    2.18393   2.19721   2.19804   2.20658   2.20665
 Alpha virt. eigenvalues --    2.21926   2.21931   2.23001   2.23317   2.23322
 Alpha virt. eigenvalues --    2.30046   2.30074   2.30227   2.32325   2.32341
 Alpha virt. eigenvalues --    2.33225   2.36635   2.40079   2.40095   2.44323
 Alpha virt. eigenvalues --    2.46252   2.46258   2.47331   2.47974   2.50013
 Alpha virt. eigenvalues --    2.50020   2.51466   2.51469   2.51866   2.51875
 Alpha virt. eigenvalues --    2.52287   2.54018   2.57788   2.57792   2.63694
 Alpha virt. eigenvalues --    2.63705   2.64557   2.65657   2.70410   2.70413
 Alpha virt. eigenvalues --    2.77305   2.77311   2.78433   2.86869   2.89091
 Alpha virt. eigenvalues --    2.89095   2.89425   2.89434   2.89754   2.99527
 Alpha virt. eigenvalues --    3.04046   3.04046   3.05745   3.06523   3.06528
 Alpha virt. eigenvalues --    3.07626   3.23764   3.28310   3.28316   3.30119
 Alpha virt. eigenvalues --    3.32802   3.32809  48.79667
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.696594   0.158339   0.030961   0.082329  -0.382069   0.001757
     2  C    0.158339   4.696493  -0.380996   0.081918   0.031311  -0.002146
     3  N    0.030961  -0.380996  11.970101  -1.255326  -0.275807  -0.097016
     4  Rh   0.082329   0.081918  -1.255326  19.260867  -1.253792  -1.255140
     5  N   -0.382069   0.031311  -0.275807  -1.253792  11.969693  -0.123353
     6  N    0.001757  -0.002146  -0.097016  -1.255140  -0.123353  11.969054
     7  C   -0.000208   0.000111  -0.002137   0.081937  -0.010204  -0.380785
     8  C   -0.005784  -0.000205   0.001771   0.082090   0.029818   0.030812
     9  N    0.029660  -0.010097  -0.123393  -1.252143   0.187803  -0.275618
    10  N   -0.002108   0.001755  -0.124178  -1.256099  -0.096823   0.188849
    11  C    0.000108  -0.000212  -0.010021   0.082325  -0.002105   0.029635
    12  C   -0.000212  -0.005811   0.029747   0.081985   0.001729  -0.010070
    13  N   -0.010099   0.029712   0.188876  -1.253659  -0.123765  -0.123943
    14  H    0.000946  -0.000072   0.004305   0.070616  -0.020729  -0.074321
    15  H   -0.000073   0.000053   0.001034   0.033710  -0.007128   0.050684
    16  H    0.000056   0.000022   0.000653   0.070573  -0.003994  -0.145961
    17  H    0.000026  -0.000011   0.000650   0.034047   0.006395  -0.253525
    18  H    0.000021   0.000056  -0.004007   0.070514   0.000647  -0.020838
    19  H   -0.000011   0.000025   0.006414   0.033779   0.000647  -0.007135
    20  H   -0.000078   0.000941  -0.020921   0.070530   0.004305  -0.003992
    21  H    0.000054  -0.000070  -0.007130   0.033854   0.001047   0.006393
    22  H   -0.007765   0.255743  -0.145887   0.070506  -0.074229   0.000650
    23  H   -0.001447   0.457791  -0.253677   0.034086   0.050502   0.000650
    24  H    0.256836  -0.008079  -0.074237   0.070516  -0.146449   0.004293
    25  H    0.457052  -0.001194   0.050711   0.033645  -0.252621   0.001034
    26  H    0.114634  -0.001049   0.056531   0.272134  -0.938123  -0.006384
    27  H    0.050465  -0.027839  -0.007691   0.144842  -0.306482   0.001981
    28  H   -0.001003   0.114685  -0.939569   0.272741   0.056466   0.005286
    29  H   -0.027857   0.050339  -0.306936   0.144760  -0.007449   0.000585
    30  H    0.003126   0.005807  -0.082978   0.272190  -0.006015   0.024958
    31  H   -0.000321  -0.004063   0.005153   0.144668   0.001861  -0.010155
    32  H    0.000072  -0.000451   0.025001   0.272442   0.005257  -0.083000
    33  H    0.000212   0.000032  -0.010171   0.144955   0.000573   0.005115
    34  H   -0.000449   0.000074   0.005291   0.272963   0.024923  -0.939599
    35  H    0.000042   0.000215   0.000585   0.144831  -0.010453  -0.306445
    36  H    0.005735   0.003107  -0.006319   0.272114  -0.082806   0.056470
    37  H   -0.004034  -0.000319   0.002049   0.144743   0.005163  -0.007677
               7          8          9         10         11         12
     1  C   -0.000208  -0.005784   0.029660  -0.002108   0.000108  -0.000212
     2  C    0.000111  -0.000205  -0.010097   0.001755  -0.000212  -0.005811
     3  N   -0.002137   0.001771  -0.123393  -0.124178  -0.010021   0.029747
     4  Rh   0.081937   0.082090  -1.252143  -1.256099   0.082325   0.081985
     5  N   -0.010204   0.029818   0.187803  -0.096823  -0.002105   0.001729
     6  N   -0.380785   0.030812  -0.275618   0.188849   0.029635  -0.010070
     7  C    4.696382   0.158286   0.031036   0.029864  -0.005804  -0.000209
     8  C    0.158286   4.696265  -0.380663  -0.010198  -0.000215   0.000110
     9  N    0.031036  -0.380663  11.962367  -0.123480   0.001746  -0.002132
    10  N    0.029864  -0.010198  -0.123480  11.976406  -0.382881   0.031120
    11  C   -0.005804  -0.000215   0.001746  -0.382881   4.696990   0.158204
    12  C   -0.000209   0.000110  -0.002132   0.031120   0.158204   4.696780
    13  N    0.001779  -0.002121  -0.096663  -0.276286   0.031166  -0.381591
    14  H   -0.008017   0.256560  -0.146296  -0.004030   0.000056   0.000021
    15  H   -0.001261   0.457220  -0.252820   0.006435   0.000025  -0.000011
    16  H    0.255864  -0.007739  -0.074299  -0.020950   0.000947  -0.000075
    17  H    0.457689  -0.001482   0.050552  -0.007145  -0.000072   0.000053
    18  H    0.000936  -0.000076   0.004296  -0.146110   0.256325  -0.007867
    19  H   -0.000071   0.000053   0.001042  -0.253351   0.457400  -0.001308
    20  H    0.000056   0.000021   0.000646  -0.074383  -0.007775   0.255798
    21  H    0.000025  -0.000011   0.000647   0.050674  -0.001451   0.457779
    22  H    0.000022   0.000056  -0.003972   0.004304  -0.000078   0.000942
    23  H   -0.000011   0.000025   0.006370   0.001049   0.000053  -0.000071
    24  H   -0.000072   0.000940  -0.020693   0.000648   0.000021   0.000056
    25  H    0.000053  -0.000073  -0.007109   0.000647  -0.000011   0.000026
    26  H    0.003136   0.005729  -0.082716   0.005255   0.000071  -0.000447
    27  H   -0.000321  -0.004042   0.005124   0.000566   0.000212   0.000036
    28  H    0.000074  -0.000451   0.024889  -0.005905   0.003125   0.005799
    29  H    0.000213   0.000032  -0.010206   0.001850  -0.000325  -0.004064
    30  H   -0.000451   0.000072   0.005254   0.056578  -0.001023   0.114803
    31  H    0.000026   0.000212   0.000573  -0.007586  -0.027852   0.050416
    32  H    0.005777   0.003138  -0.006166  -0.940140   0.114765  -0.000987
    33  H   -0.004063  -0.000321   0.001836  -0.307201   0.050520  -0.027827
    34  H    0.114670  -0.000968   0.056437  -0.083111   0.005789   0.003115
    35  H    0.050229  -0.027852  -0.007515   0.005152  -0.004047  -0.000315
    36  H   -0.001015   0.114539  -0.936883   0.024951  -0.000449   0.000073
    37  H   -0.027867   0.050299  -0.305561  -0.010516   0.000044   0.000215
              13         14         15         16         17         18
     1  C   -0.010099   0.000946  -0.000073   0.000056   0.000026   0.000021
     2  C    0.029712  -0.000072   0.000053   0.000022  -0.000011   0.000056
     3  N    0.188876   0.004305   0.001034   0.000653   0.000650  -0.004007
     4  Rh  -1.253659   0.070616   0.033710   0.070573   0.034047   0.070514
     5  N   -0.123765  -0.020729  -0.007128  -0.003994   0.006395   0.000647
     6  N   -0.123943  -0.074321   0.050684  -0.145961  -0.253525  -0.020838
     7  C    0.001779  -0.008017  -0.001261   0.255864   0.457689   0.000936
     8  C   -0.002121   0.256560   0.457220  -0.007739  -0.001482  -0.000076
     9  N   -0.096663  -0.146296  -0.252820  -0.074299   0.050552   0.004296
    10  N   -0.276286  -0.004030   0.006435  -0.020950  -0.007145  -0.146110
    11  C    0.031166   0.000056   0.000025   0.000947  -0.000072   0.256325
    12  C   -0.381591   0.000021  -0.000011  -0.000075   0.000053  -0.007867
    13  N   11.968082   0.000650   0.000647   0.004312   0.001042  -0.074216
    14  H    0.000650   1.075420  -0.238705   0.068268  -0.059612   0.000064
    15  H    0.000647  -0.238705   1.003812  -0.059661  -0.007544  -0.000129
    16  H    0.004312   0.068268  -0.059661   1.075887  -0.238867  -0.001601
    17  H    0.001042  -0.059612  -0.007544  -0.238867   1.004259   0.000660
    18  H   -0.074216   0.000064  -0.000129  -0.001601   0.000660   1.075649
    19  H    0.050669   0.000001  -0.000001   0.000663   0.000049  -0.238738
    20  H   -0.145691   0.000002  -0.000003   0.000065   0.000001   0.068312
    21  H   -0.253481  -0.000003  -0.000001  -0.000129  -0.000000  -0.059723
    22  H   -0.020985   0.000064   0.000001   0.000002  -0.000003   0.000065
    23  H   -0.007126  -0.000128  -0.000000  -0.000003  -0.000001   0.000001
    24  H   -0.004017  -0.001574   0.000654   0.000064  -0.000128   0.000002
    25  H    0.006420   0.000655   0.000048   0.000001  -0.000000  -0.000003
    26  H    0.024943   0.017765   0.000168   0.000535   0.000437  -0.000109
    27  H   -0.010259   0.001980  -0.000047   0.000305  -0.000176   0.000048
    28  H   -0.082986  -0.000289  -0.000023  -0.000109  -0.000008   0.000539
    29  H    0.005131   0.000384  -0.000217   0.000047  -0.000029   0.000305
    30  H   -0.938793  -0.000109  -0.000008  -0.000290  -0.000023  -0.001537
    31  H   -0.306462   0.000048  -0.000029   0.000386  -0.000218   0.012608
    32  H    0.056577   0.000540   0.000436   0.017977   0.000160  -0.019116
    33  H   -0.007594   0.000306  -0.000176   0.001999  -0.000048   0.037471
    34  H   -0.006051  -0.001533  -0.007978  -0.019041   0.104755   0.017863
    35  H    0.001907   0.012626  -0.002470   0.037461  -0.025701   0.001990
    36  H    0.005253  -0.019138   0.104607  -0.001553  -0.007956  -0.000289
    37  H    0.000570   0.037565  -0.025896   0.012694  -0.002453   0.000389
              19         20         21         22         23         24
     1  C   -0.000011  -0.000078   0.000054  -0.007765  -0.001447   0.256836
     2  C    0.000025   0.000941  -0.000070   0.255743   0.457791  -0.008079
     3  N    0.006414  -0.020921  -0.007130  -0.145887  -0.253677  -0.074237
     4  Rh   0.033779   0.070530   0.033854   0.070506   0.034086   0.070516
     5  N    0.000647   0.004305   0.001047  -0.074229   0.050502  -0.146449
     6  N   -0.007135  -0.003992   0.006393   0.000650   0.000650   0.004293
     7  C   -0.000071   0.000056   0.000025   0.000022  -0.000011  -0.000072
     8  C    0.000053   0.000021  -0.000011   0.000056   0.000025   0.000940
     9  N    0.001042   0.000646   0.000647  -0.003972   0.006370  -0.020693
    10  N   -0.253351  -0.074383   0.050674   0.004304   0.001049   0.000648
    11  C    0.457400  -0.007775  -0.001451  -0.000078   0.000053   0.000021
    12  C   -0.001308   0.255798   0.457779   0.000942  -0.000071   0.000056
    13  N    0.050669  -0.145691  -0.253481  -0.020985  -0.007126  -0.004017
    14  H    0.000001   0.000002  -0.000003   0.000064  -0.000128  -0.001574
    15  H   -0.000001  -0.000003  -0.000001   0.000001  -0.000000   0.000654
    16  H    0.000663   0.000065  -0.000129   0.000002  -0.000003   0.000064
    17  H    0.000049   0.000001  -0.000000  -0.000003  -0.000001  -0.000128
    18  H   -0.238738   0.068312  -0.059723   0.000065   0.000001   0.000002
    19  H    1.003756  -0.059717  -0.007463  -0.000129  -0.000001  -0.000003
    20  H   -0.059717   1.075791  -0.238919  -0.001608   0.000663   0.000065
    21  H   -0.007463  -0.238919   1.004315   0.000664   0.000049   0.000001
    22  H   -0.000129  -0.001608   0.000664   1.075987  -0.238861   0.068318
    23  H   -0.000001   0.000663   0.000049  -0.238861   1.004299  -0.059727
    24  H   -0.000003   0.000065   0.000001   0.068318  -0.059727   1.075206
    25  H   -0.000001  -0.000129  -0.000001  -0.059831  -0.007392  -0.238512
    26  H   -0.000007  -0.000290  -0.000023  -0.001572  -0.007951  -0.019068
    27  H   -0.000029   0.000390  -0.000219   0.012713  -0.002465   0.037544
    28  H    0.000433   0.017958   0.000159  -0.019009   0.104758  -0.001530
    29  H   -0.000174   0.002006  -0.000049   0.037426  -0.025671   0.012634
    30  H   -0.007980  -0.019097   0.104761   0.017983   0.000154   0.000540
    31  H   -0.002460   0.037382  -0.025719   0.002005  -0.000049   0.000305
    32  H    0.104808  -0.001551  -0.007976  -0.000290  -0.000024  -0.000109
    33  H   -0.025808   0.012682  -0.002471   0.000388  -0.000219   0.000048
    34  H    0.000172   0.000536   0.000435  -0.000110  -0.000008  -0.000289
    35  H   -0.000048   0.000304  -0.000174   0.000048  -0.000029   0.000386
    36  H   -0.000023  -0.000109  -0.000008   0.000535   0.000434   0.017712
    37  H   -0.000218   0.000049  -0.000029   0.000303  -0.000175   0.001977
              25         26         27         28         29         30
     1  C    0.457052   0.114634   0.050465  -0.001003  -0.027857   0.003126
     2  C   -0.001194  -0.001049  -0.027839   0.114685   0.050339   0.005807
     3  N    0.050711   0.056531  -0.007691  -0.939569  -0.306936  -0.082978
     4  Rh   0.033645   0.272134   0.144842   0.272741   0.144760   0.272190
     5  N   -0.252621  -0.938123  -0.306482   0.056466  -0.007449  -0.006015
     6  N    0.001034  -0.006384   0.001981   0.005286   0.000585   0.024958
     7  C    0.000053   0.003136  -0.000321   0.000074   0.000213  -0.000451
     8  C   -0.000073   0.005729  -0.004042  -0.000451   0.000032   0.000072
     9  N   -0.007109  -0.082716   0.005124   0.024889  -0.010206   0.005254
    10  N    0.000647   0.005255   0.000566  -0.005905   0.001850   0.056578
    11  C   -0.000011   0.000071   0.000212   0.003125  -0.000325  -0.001023
    12  C    0.000026  -0.000447   0.000036   0.005799  -0.004064   0.114803
    13  N    0.006420   0.024943  -0.010259  -0.082986   0.005131  -0.938793
    14  H    0.000655   0.017765   0.001980  -0.000289   0.000384  -0.000109
    15  H    0.000048   0.000168  -0.000047  -0.000023  -0.000217  -0.000008
    16  H    0.000001   0.000535   0.000305  -0.000109   0.000047  -0.000290
    17  H   -0.000000   0.000437  -0.000176  -0.000008  -0.000029  -0.000023
    18  H   -0.000003  -0.000109   0.000048   0.000539   0.000305  -0.001537
    19  H   -0.000001  -0.000007  -0.000029   0.000433  -0.000174  -0.007980
    20  H   -0.000129  -0.000290   0.000390   0.017958   0.002006  -0.019097
    21  H   -0.000001  -0.000023  -0.000219   0.000159  -0.000049   0.104761
    22  H   -0.059831  -0.001572   0.012713  -0.019009   0.037426   0.017983
    23  H   -0.007392  -0.007951  -0.002465   0.104758  -0.025671   0.000154
    24  H   -0.238512  -0.019068   0.037544  -0.001530   0.012634   0.000540
    25  H    1.003306   0.104571  -0.025880  -0.007979  -0.002489   0.000435
    26  H    0.104571   1.031762  -0.045248  -0.005896  -0.001026  -0.001186
    27  H   -0.025880  -0.045248   0.649628  -0.001003   0.003140   0.008374
    28  H   -0.007979  -0.005896  -0.001003   1.032689  -0.045354   0.033520
    29  H   -0.002489  -0.001026   0.003140  -0.045354   0.650896   0.002011
    30  H    0.000435  -0.001186   0.008374   0.033520   0.002011   1.032585
    31  H   -0.000175  -0.000385  -0.004768   0.002008  -0.001051  -0.045707
    32  H   -0.000008  -0.000202  -0.000172  -0.001191  -0.000388  -0.005904
    33  H   -0.000029  -0.000172   0.000060   0.008366  -0.004755  -0.001013
    34  H   -0.000023  -0.001164  -0.000400  -0.000205  -0.000172  -0.001189
    35  H   -0.000217   0.008493  -0.004743  -0.000172   0.000060  -0.000384
    36  H    0.000173   0.033500   0.002003  -0.001166   0.008443  -0.000202
    37  H   -0.000047   0.001990  -0.001047  -0.000402  -0.004769  -0.000171
              31         32         33         34         35         36
     1  C   -0.000321   0.000072   0.000212  -0.000449   0.000042   0.005735
     2  C   -0.004063  -0.000451   0.000032   0.000074   0.000215   0.003107
     3  N    0.005153   0.025001  -0.010171   0.005291   0.000585  -0.006319
     4  Rh   0.144668   0.272442   0.144955   0.272963   0.144831   0.272114
     5  N    0.001861   0.005257   0.000573   0.024923  -0.010453  -0.082806
     6  N   -0.010155  -0.083000   0.005115  -0.939599  -0.306445   0.056470
     7  C    0.000026   0.005777  -0.004063   0.114670   0.050229  -0.001015
     8  C    0.000212   0.003138  -0.000321  -0.000968  -0.027852   0.114539
     9  N    0.000573  -0.006166   0.001836   0.056437  -0.007515  -0.936883
    10  N   -0.007586  -0.940140  -0.307201  -0.083111   0.005152   0.024951
    11  C   -0.027852   0.114765   0.050520   0.005789  -0.004047  -0.000449
    12  C    0.050416  -0.000987  -0.027827   0.003115  -0.000315   0.000073
    13  N   -0.306462   0.056577  -0.007594  -0.006051   0.001907   0.005253
    14  H    0.000048   0.000540   0.000306  -0.001533   0.012626  -0.019138
    15  H   -0.000029   0.000436  -0.000176  -0.007978  -0.002470   0.104607
    16  H    0.000386   0.017977   0.001999  -0.019041   0.037461  -0.001553
    17  H   -0.000218   0.000160  -0.000048   0.104755  -0.025701  -0.007956
    18  H    0.012608  -0.019116   0.037471   0.017863   0.001990  -0.000289
    19  H   -0.002460   0.104808  -0.025808   0.000172  -0.000048  -0.000023
    20  H    0.037382  -0.001551   0.012682   0.000536   0.000304  -0.000109
    21  H   -0.025719  -0.007976  -0.002471   0.000435  -0.000174  -0.000008
    22  H    0.002005  -0.000290   0.000388  -0.000110   0.000048   0.000535
    23  H   -0.000049  -0.000024  -0.000219  -0.000008  -0.000029   0.000434
    24  H    0.000305  -0.000109   0.000048  -0.000289   0.000386   0.017712
    25  H   -0.000175  -0.000008  -0.000029  -0.000023  -0.000217   0.000173
    26  H   -0.000385  -0.000202  -0.000172  -0.001164   0.008493   0.033500
    27  H   -0.004768  -0.000172   0.000060  -0.000400  -0.004743   0.002003
    28  H    0.002008  -0.001191   0.008366  -0.000205  -0.000172  -0.001166
    29  H   -0.001051  -0.000388  -0.004755  -0.000172   0.000060   0.008443
    30  H   -0.045707  -0.005904  -0.001013  -0.001189  -0.000384  -0.000202
    31  H    0.650826  -0.001008   0.003145   0.008406  -0.004772  -0.000171
    32  H   -0.001008   1.033289  -0.045442   0.033566   0.001999  -0.001186
    33  H    0.003145  -0.045442   0.650274   0.002013  -0.001050  -0.000387
    34  H    0.008406   0.033566   0.002013   1.032952  -0.045409  -0.005894
    35  H   -0.004772   0.001999  -0.001050  -0.045409   0.650584  -0.001013
    36  H   -0.000171  -0.001186  -0.000387  -0.005894  -0.001013   1.031541
    37  H    0.000061   0.008447  -0.004731  -0.000998   0.003133  -0.045567
              37
     1  C   -0.004034
     2  C   -0.000319
     3  N    0.002049
     4  Rh   0.144743
     5  N    0.005163
     6  N   -0.007677
     7  C   -0.027867
     8  C    0.050299
     9  N   -0.305561
    10  N   -0.010516
    11  C    0.000044
    12  C    0.000215
    13  N    0.000570
    14  H    0.037565
    15  H   -0.025896
    16  H    0.012694
    17  H   -0.002453
    18  H    0.000389
    19  H   -0.000218
    20  H    0.000049
    21  H   -0.000029
    22  H    0.000303
    23  H   -0.000175
    24  H    0.001977
    25  H   -0.000047
    26  H    0.001990
    27  H   -0.001047
    28  H   -0.000402
    29  H   -0.004769
    30  H   -0.000171
    31  H    0.000061
    32  H    0.008447
    33  H   -0.004731
    34  H   -0.000998
    35  H    0.003133
    36  H   -0.045567
    37  H    0.649784
 Mulliken charges:
               1
     1  C    0.554496
     2  C    0.554084
     3  N   -1.251438
     4  Rh   1.642953
     5  N   -1.253748
     6  N   -1.251102
     7  C    0.554329
     8  C    0.554148
     9  N   -1.251852
    10  N   -1.253623
    11  C    0.554790
    12  C    0.554189
    13  N   -1.251949
    14  H    0.025714
    15  H   -0.055356
    16  H    0.025489
    17  H   -0.055773
    18  H    0.025596
    19  H   -0.055236
    20  H    0.025762
    21  H   -0.055809
    22  H    0.025604
    23  H   -0.055847
    24  H    0.025721
    25  H   -0.055053
    26  H    0.431362
    27  H    0.523419
    28  H    0.430756
    29  H    0.522719
    30  H    0.430911
    31  H    0.522861
    32  H    0.431061
    33  H    0.523482
    34  H    0.430630
    35  H    0.522761
    36  H    0.430947
    37  H    0.523004
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.525164
     2  C    0.523841
     3  N   -0.297963
     4  Rh   1.642953
     5  N   -0.298968
     6  N   -0.297711
     7  C    0.524045
     8  C    0.524505
     9  N   -0.297901
    10  N   -0.299080
    11  C    0.525151
    12  C    0.524142
    13  N   -0.298177
 Electronic spatial extent (au):  <R**2>=           2782.3681
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0004    Y=              0.0009    Z=             -0.0002  Tot=              0.0010
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -29.9449   YY=            -29.9850   ZZ=            -54.0183
   XY=             -0.0017   XZ=             -0.0032   YZ=             -0.0001
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              8.0379   YY=              7.9977   ZZ=            -16.0356
   XY=             -0.0017   XZ=             -0.0032   YZ=             -0.0001
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             13.9241  YYY=             34.3181  ZZZ=             -0.0020  XYY=            -13.9215
  XXY=            -34.3568  XXZ=             -0.0086  XZZ=              0.0193  YZZ=             -0.0191
  YYZ=              0.0018  XYZ=             -0.0015
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1003.8483 YYYY=          -1002.9803 ZZZZ=           -325.2498 XXXY=             -0.0088
 XXXZ=             33.7560 YYYX=              0.0127 YYYZ=            -13.6932 ZZZX=              0.0101
 ZZZY=              0.0369 XXYY=           -334.4767 XXZZ=           -226.0646 YYZZ=           -225.9514
 XXYZ=             13.6925 YYXZ=            -33.7844 ZZXY=             -0.0178
 N-N= 1.198535526615D+03 E-N=-3.900513499815D+03  KE= 6.033980819395D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 19:09:28 2021, MaxMem= 10737418240 cpu:              10.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.57041775D-04 2.84772257D-04-7.33539917D-05
 Polarizability= 1.50650499D+02-2.45177805D-03 1.50603333D+02
                 1.66914436D-04 3.06928015D-03 1.17003112D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0228   -0.0123       -0.0143   -0.0092
 2      0.0228    0.0123       -0.0135   -0.0074       -0.0308   -0.0303
 3      0.0143    0.0092       16.8767   16.8863        0.0122    0.0074
 4      0.0135    0.0074        0.0000    0.0000        0.0119    0.0092
 5    -16.8458  -16.8561       -0.0119   -0.0092       -0.0173   -0.0123
 6     -0.0122   -0.0074        0.0173    0.0123        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0370    0.0370       -0.0275   -0.0275
 2      0.0223    0.0223       -0.0000    0.0000       -0.0275   -0.0275
 3      0.0223    0.0223        0.0370    0.0370        0.0000    0.0000
 4      0.0370    0.0370       -0.0223   -0.0223       -0.0908   -0.0908
 5      0.0275    0.0275       50.6590   50.6590        0.0223    0.0223
 6    -50.5682  -50.5682       -0.0275   -0.0275       -0.0370   -0.0370
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1492    0.0000       -0.0828    0.0493        0.1342    0.0367
 2      0.3189   -0.0493       -0.0374    0.0297        0.0782    0.1211
 3     -0.0360   -0.0367      -67.9178  -67.5454       -0.3063   -0.0297
 4     -0.0180   -0.0297       -0.2739    0.0000       -0.3360   -0.0367
 5     67.6349   67.4242        0.4471    0.0367        0.1518    0.0493
 6      0.1639    0.0297       -0.0292   -0.0493       -0.1059    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.8852    0.0000       -0.4015    0.1504       -0.5610    0.1169
 2     -0.1780   -0.1504       -0.4093   -0.1526        0.2239    0.2371
 3     -0.7333   -0.1169      -23.3051  -23.5672        0.4940    0.1526
 4     -0.4505    0.1526        1.0341    0.0000        0.8676   -0.1169
 5     22.8013   23.3301        0.7047    0.1169       -0.1203    0.1504
 6     -0.2630   -0.1526       -0.5653   -0.1504       -0.1750    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -31.7689  -31.8364       78.1345   78.0955        0.5144   -0.1863
 2    -31.8782  -31.7207       78.4983   78.2597        0.3404   -0.1863
 3    -31.9356  -31.7207       78.5769   78.0955        0.5574   -0.2578
 4     -0.3027   -0.1641       -0.4580   -0.1158       -0.5588    0.0675
 5      1.0519   -0.0715      -27.0560  -27.0905        0.0166    0.1158
 6     25.9438   27.0230        0.2965    0.0715       -0.7818    0.1641
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006   -0.0004    0.0003    5.9684   15.3289   17.0278
 Low frequencies ---   83.5307   85.6235  116.1719
 Diagonal vibrational polarizability:
       15.3975984      15.2519679      11.2169964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     83.4767                85.5903               116.1570
 Red. masses --      3.0249                 3.0350                 2.8829
 Frc consts  --      0.0124                 0.0131                 0.0229
 IR Inten    --      0.0222                 0.0168                 0.5762
 RamAct Fr= 1--      0.8936                 0.8912                 0.0040
  Dep-P Fr= 1--      0.7500                 0.7499                 0.7359
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8478
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1277                 0.1273                 0.0006
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0391                -0.0523                 0.0072
 Delta2 Fr= 1--     -0.0353                -0.0438                 0.0004
 Raman1 Fr= 1--       3.574                  3.565                  0.016
 ROA1   Fr= 1--      -4.883                 -6.419                  0.704
 CID1   Fr= 1--      -1.366                 -1.801                 44.162
 Raman2 Fr= 1--       1.532                  1.528                  0.007
 ROA2   Fr= 1--      -0.656                 -0.904                  0.170
 CID2   Fr= 1--      -0.428                 -0.592                 25.188
 Raman3 Fr= 1--       3.064                  3.055                  0.014
 ROA3   Fr= 1--      -4.883                 -6.419                  0.704
 CID3   Fr= 1--      -1.594                 -2.101                 52.088
 RC180  Fr= 1--       0.714                  0.714                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07  -0.01     0.18  -0.09  -0.06     0.04  -0.03  -0.10
     2   6     0.00  -0.12  -0.04     0.07  -0.16  -0.05     0.02  -0.04  -0.11
     3   7    -0.03  -0.06  -0.01    -0.02   0.00   0.03     0.02   0.08   0.02
     4  45    -0.04  -0.01  -0.00    -0.01   0.04   0.00    -0.00  -0.00   0.07
     5   7    -0.03   0.01   0.03     0.05   0.02   0.01    -0.08   0.01   0.02
     6   7    -0.04   0.05  -0.01     0.02   0.01  -0.03     0.04  -0.07   0.02
     7   6    -0.03   0.14  -0.05    -0.03  -0.16   0.04     0.01   0.05  -0.11
     8   6     0.04   0.09  -0.02    -0.14  -0.12   0.06     0.03   0.04  -0.11
     9   7    -0.02  -0.02   0.03    -0.06   0.01  -0.00    -0.08  -0.03   0.03
    10   7     0.00  -0.04  -0.02    -0.04   0.04  -0.02     0.06  -0.05   0.03
    11   6     0.21  -0.05   0.06    -0.00   0.04  -0.02    -0.04   0.01  -0.10
    12   6     0.19   0.09   0.06     0.01   0.05   0.02    -0.04  -0.02  -0.10
    13   7    -0.01   0.03  -0.02     0.02   0.05   0.02     0.04   0.06   0.02
    14   1     0.13   0.08   0.01    -0.27  -0.07   0.07     0.15  -0.00  -0.10
    15   1     0.05   0.14  -0.04    -0.16  -0.23   0.11    -0.01   0.11  -0.19
    16   1    -0.11   0.16  -0.06     0.09  -0.23   0.02    -0.12   0.10  -0.12
    17   1     0.02   0.20  -0.08    -0.08  -0.23   0.08     0.09   0.09  -0.20
    18   1     0.24  -0.21   0.06     0.02   0.04  -0.04    -0.07   0.13  -0.09
    19   1     0.32  -0.00   0.12    -0.02   0.04  -0.02    -0.09  -0.06  -0.18
    20   1     0.18   0.26   0.06    -0.01   0.06   0.04    -0.03  -0.14  -0.11
    21   1     0.31   0.08   0.12     0.04   0.05   0.03    -0.11   0.03  -0.19
    22   1    -0.06  -0.15  -0.06    -0.03  -0.27  -0.03    -0.08  -0.13  -0.11
    23   1     0.05  -0.17  -0.07     0.15  -0.22  -0.10     0.10  -0.06  -0.20
    24   1     0.11  -0.05   0.02     0.29  -0.01  -0.07     0.14   0.04  -0.10
    25   1     0.05  -0.10  -0.03     0.22  -0.20  -0.12     0.02  -0.11  -0.19
    26   1    -0.02   0.05   0.10     0.09   0.09   0.09    -0.10   0.03   0.12
    27   1    -0.10   0.03  -0.01    -0.06   0.02  -0.04    -0.20   0.02  -0.03
    28   1    -0.06  -0.07   0.01    -0.10  -0.01   0.13    -0.00   0.09   0.11
    29   1    -0.00  -0.02  -0.02    -0.00   0.12  -0.03     0.05   0.19  -0.03
    30   1    -0.06   0.11  -0.13     0.03   0.05   0.04     0.07   0.06   0.11
    31   1    -0.08  -0.08   0.04     0.04   0.05   0.01     0.10   0.16  -0.03
    32   1    -0.03  -0.13  -0.13    -0.04   0.03  -0.05     0.09  -0.04   0.12
    33   1    -0.09   0.05   0.04    -0.06   0.04  -0.01     0.15  -0.13  -0.03
    34   1    -0.09   0.05   0.03     0.09   0.02  -0.13     0.02  -0.09   0.11
    35   1    -0.01   0.00  -0.03    -0.03   0.12   0.03     0.10  -0.17  -0.03
    36   1     0.01  -0.06   0.10    -0.11   0.06  -0.08    -0.09  -0.06   0.13
    37   1    -0.09  -0.05  -0.01     0.04   0.02   0.04    -0.19  -0.07  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    143.1030               143.8430               163.2946
 Red. masses --      2.8937                 2.8933                 2.7492
 Frc consts  --      0.0349                 0.0353                 0.0432
 IR Inten    --      0.3026                 0.3197                 0.0117
 RamAct Fr= 1--      0.1931                 0.1859                 1.8584
  Dep-P Fr= 1--      0.7478                 0.7496                 0.7294
  Dep-U Fr= 1--      0.8557                 0.8569                 0.8435
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0275                 0.0265                 0.2613
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0148
 Gamma2 Fr= 1--      1.3168                 1.3236                -3.9144
 Delta2 Fr= 1--      0.1815                 0.1732                -0.9645
 Raman1 Fr= 1--       0.772                  0.743                  7.433
 ROA1   Fr= 1--     132.218                132.611               -406.650
 CID1   Fr= 1--     171.160                178.376                -54.706
 Raman2 Fr= 1--       0.331                  0.319                  3.135
 ROA2   Fr= 1--      30.151                 30.381                -86.230
 CID2   Fr= 1--      91.227                 95.381                -27.505
 Raman3 Fr= 1--       0.661                  0.637                  6.270
 ROA3   Fr= 1--     132.218                132.611               -406.650
 CID3   Fr= 1--     200.023                208.166                -64.854
 RC180  Fr= 1--       0.711                  0.714                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.12    -0.05   0.03  -0.07     0.02  -0.04  -0.08
     2   6     0.03  -0.04  -0.08    -0.00   0.05  -0.10    -0.03   0.03   0.09
     3   7     0.08  -0.09  -0.08     0.04   0.03  -0.05    -0.07   0.07   0.08
     4  45     0.01   0.01  -0.00     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
     5   7    -0.05   0.11   0.09    -0.06  -0.00  -0.02     0.05  -0.09  -0.08
     6   7     0.06   0.02  -0.07     0.05   0.11  -0.07     0.04   0.09  -0.08
     7   6     0.01  -0.03  -0.12     0.02   0.06  -0.06     0.02   0.04  -0.08
     8   6    -0.04  -0.05  -0.03    -0.00  -0.03   0.13    -0.01  -0.04   0.09
     9   7    -0.06  -0.05   0.00    -0.01  -0.12   0.09    -0.03  -0.09   0.08
    10   7     0.06   0.06   0.08    -0.11  -0.00  -0.05     0.10   0.02   0.08
    11   6    -0.00   0.02   0.14    -0.07   0.00  -0.03     0.04   0.01   0.08
    12   6    -0.07  -0.02   0.01     0.02  -0.01   0.14    -0.04  -0.00  -0.08
    13   7    -0.09  -0.04  -0.03     0.09  -0.04   0.09    -0.09  -0.00  -0.07
    14   1    -0.04  -0.01   0.02    -0.00   0.08   0.25    -0.00   0.05   0.19
    15   1    -0.08  -0.10  -0.04    -0.02  -0.14   0.18    -0.04  -0.13   0.11
    16   1    -0.03  -0.06  -0.17    -0.05  -0.02  -0.18    -0.04  -0.03  -0.18
    17   1     0.05  -0.00  -0.16     0.07   0.17  -0.09     0.06   0.13  -0.10
    18   1    -0.07  -0.03   0.22     0.01   0.04  -0.13    -0.04  -0.02   0.17
    19   1     0.06   0.06   0.19    -0.18  -0.01  -0.04     0.13   0.03   0.10
    20   1     0.00  -0.03  -0.07    -0.08   0.02   0.24     0.05  -0.02  -0.17
    21   1    -0.15  -0.05   0.01     0.11  -0.03   0.19    -0.13  -0.01  -0.10
    22   1    -0.06   0.02  -0.21    -0.03   0.05  -0.12     0.05  -0.02   0.19
    23   1     0.12  -0.13  -0.12     0.02   0.06  -0.13    -0.10   0.11   0.12
    24   1     0.00  -0.07   0.24    -0.04   0.02  -0.06    -0.02   0.05  -0.19
    25   1    -0.08   0.15   0.16    -0.09   0.04  -0.09     0.08  -0.12  -0.11
    26   1    -0.07   0.13   0.20    -0.09  -0.02   0.00     0.08  -0.10  -0.18
    27   1    -0.08   0.22   0.03    -0.08   0.00  -0.04     0.09  -0.17  -0.03
    28   1     0.09  -0.12  -0.19     0.08   0.04  -0.06    -0.07   0.10   0.16
    29   1     0.17  -0.16  -0.02     0.07   0.03  -0.04    -0.14   0.12   0.03
    30   1    -0.10  -0.08  -0.11     0.12  -0.05   0.17    -0.11  -0.02  -0.15
    31   1    -0.16  -0.05   0.01     0.18  -0.07   0.05    -0.17   0.01  -0.03
    32   1     0.08   0.09   0.15    -0.14   0.03  -0.15     0.12   0.01   0.17
    33   1     0.12   0.11   0.05    -0.20  -0.03   0.00     0.18   0.05   0.03
    34   1     0.09   0.02  -0.11     0.04   0.15  -0.17     0.03   0.12  -0.16
    35   1     0.11   0.04  -0.05     0.11   0.19  -0.01     0.09   0.16  -0.03
    36   1    -0.09  -0.04   0.06    -0.02  -0.15   0.20    -0.05  -0.11   0.17
    37   1    -0.08  -0.09  -0.02    -0.01  -0.22   0.04    -0.04  -0.18   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.4513               215.0331               220.8686
 Red. masses --      2.7314                 2.7458                 2.9941
 Frc consts  --      0.0740                 0.0748                 0.0861
 IR Inten    --      7.0843                 6.8916                11.2730
 RamAct Fr= 1--      2.5584                 2.6411                 0.0633
  Dep-P Fr= 1--      0.7500                 0.7483                 0.7276
  Dep-U Fr= 1--      0.8571                 0.8561                 0.8423
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.3655                 0.3768                 0.0089
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--     -1.5187                -1.6111                -0.0359
 Delta2 Fr= 1--     -0.0663                -0.0580                -0.0013
 Raman1 Fr= 1--      10.233                 10.564                  0.253
 ROA1   Fr= 1--    -147.916               -156.518                 -3.490
 CID1   Fr= 1--     -14.454                -14.816                -13.777
 Raman2 Fr= 1--       4.386                  4.522                  0.107
 ROA2   Fr= 1--     -35.918                -38.202                 -0.852
 CID2   Fr= 1--      -8.190                 -8.448                 -7.988
 Raman3 Fr= 1--       8.772                  9.044                  0.213
 ROA3   Fr= 1--    -147.916               -156.518                 -3.490
 CID3   Fr= 1--     -16.863                -17.307                -16.356
 RC180  Fr= 1--       0.714                  0.712                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.05   0.02     0.00   0.04  -0.03    -0.07  -0.02  -0.03
     2   6    -0.07  -0.07  -0.01    -0.05   0.00  -0.02     0.03   0.05  -0.04
     3   7    -0.05  -0.06   0.01    -0.07   0.12   0.08     0.12  -0.07  -0.04
     4  45    -0.01  -0.01  -0.01     0.01  -0.01   0.01    -0.00   0.00   0.06
     5   7    -0.07  -0.01  -0.01    -0.11   0.09   0.07     0.02  -0.13  -0.04
     6   7    -0.01   0.14  -0.06     0.08   0.05  -0.06     0.09   0.08  -0.03
     7   6    -0.01   0.03   0.02     0.10  -0.04   0.02     0.03  -0.04  -0.04
     8   6    -0.06   0.04   0.03     0.06  -0.01  -0.00    -0.08   0.00  -0.03
     9   7     0.03   0.10  -0.07     0.10   0.07  -0.03    -0.03   0.12  -0.04
    10   7     0.15  -0.02   0.07    -0.05  -0.07  -0.05    -0.07  -0.07  -0.01
    11   6     0.02  -0.00  -0.01     0.01  -0.10   0.02     0.03  -0.04  -0.04
    12   6     0.03  -0.08  -0.02    -0.01  -0.06  -0.01     0.02   0.06  -0.04
    13   7     0.13  -0.01   0.08    -0.09  -0.08  -0.03    -0.09   0.06  -0.02
    14   1    -0.17   0.10   0.04    -0.02   0.01  -0.02    -0.16   0.03  -0.03
    15   1    -0.04  -0.04   0.11     0.05  -0.04   0.01    -0.11  -0.07  -0.03
    16   1     0.08  -0.02   0.01     0.20  -0.07   0.03     0.10  -0.08  -0.05
    17   1    -0.06  -0.00   0.06     0.04  -0.08   0.08     0.01  -0.11  -0.04
    18   1    -0.01   0.13  -0.01     0.01  -0.19   0.04     0.05  -0.09  -0.04
    19   1    -0.05  -0.04  -0.07     0.07  -0.06   0.08     0.10  -0.05  -0.05
    20   1     0.04  -0.22  -0.02     0.01  -0.00  -0.03     0.02   0.11  -0.05
    21   1    -0.06  -0.04  -0.09     0.01  -0.06  -0.00     0.08   0.08  -0.05
    22   1    -0.10  -0.07  -0.03    -0.15  -0.09  -0.02     0.09   0.11  -0.04
    23   1    -0.04  -0.08  -0.04     0.04  -0.03  -0.10    -0.02   0.11  -0.03
    24   1    -0.07  -0.07   0.04     0.11   0.12  -0.03    -0.15  -0.08  -0.03
    25   1    -0.07  -0.02   0.05     0.01  -0.05  -0.10    -0.12   0.04  -0.02
    26   1    -0.07  -0.00   0.02    -0.15   0.11   0.24     0.02  -0.18  -0.19
    27   1    -0.07   0.01  -0.02    -0.23   0.18  -0.01     0.10  -0.23   0.03
    28   1    -0.05  -0.06   0.00    -0.07   0.17   0.25     0.16  -0.09  -0.19
    29   1    -0.04  -0.06   0.01    -0.12   0.27  -0.01     0.19  -0.18   0.04
    30   1     0.18   0.02   0.25    -0.12  -0.09  -0.15    -0.12   0.08  -0.12
    31   1     0.27   0.06  -0.01    -0.19  -0.10   0.03    -0.18   0.05   0.03
    32   1     0.20  -0.04   0.25    -0.07  -0.06  -0.13    -0.10  -0.10  -0.11
    33   1     0.32  -0.04  -0.03    -0.13  -0.04  -0.00    -0.16  -0.09   0.04
    34   1    -0.01   0.19  -0.21     0.08   0.07  -0.15     0.13   0.11  -0.17
    35   1     0.01   0.27   0.02     0.08   0.14  -0.01     0.14   0.20   0.04
    36   1     0.06   0.12  -0.20     0.12   0.10  -0.15    -0.03   0.17  -0.16
    37   1     0.11   0.19   0.00     0.15   0.17   0.03     0.02   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    245.4806               301.0760               301.6480
 Red. masses --      4.3796                 1.9132                 1.9065
 Frc consts  --      0.1555                 0.1022                 0.1022
 IR Inten    --      0.0019                 1.2390                 1.2487
 RamAct Fr= 1--     16.7555                 0.3717                 0.3870
  Dep-P Fr= 1--      0.0955                 0.7479                 0.7394
  Dep-U Fr= 1--      0.1744                 0.8557                 0.8502
 Alpha2 Fr= 1--      0.2966                 0.0000                 0.0001
 Beta2  Fr= 1--      0.4869                 0.0530                 0.0548
 AlphaG Fr= 1--      0.1879                 0.0000                 0.0002
 Gamma2 Fr= 1--      6.9709                -0.8753                -0.8194
 Delta2 Fr= 1--      0.3327                -0.0183                -0.0206
 Raman1 Fr= 1--      67.022                  1.487                  1.548
 ROA1   Fr= 1--     679.851                -84.614                -79.321
 CID1   Fr= 1--      10.144                -56.907                -51.238
 Raman2 Fr= 1--       5.843                  0.636                  0.658
 ROA2   Fr= 1--     164.640                -20.860                -19.501
 CID2   Fr= 1--      28.178                -32.789                -29.635
 Raman3 Fr= 1--      11.686                  1.272                  1.316
 ROA3   Fr= 1--     679.851                -84.614                -79.321
 CID3   Fr= 1--      58.179                -66.500                -60.269
 RC180  Fr= 1--      -0.651                  0.711                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.10   0.02     0.09   0.02  -0.08     0.01   0.01  -0.02
     2   6    -0.13  -0.12  -0.02     0.04   0.08   0.08    -0.00   0.01  -0.01
     3   7    -0.08  -0.08   0.05     0.03  -0.05  -0.05    -0.00  -0.02  -0.03
     4  45    -0.00   0.00  -0.00    -0.03  -0.02  -0.00    -0.02   0.03  -0.00
     5   7    -0.10  -0.06  -0.05    -0.04   0.04   0.06     0.02   0.00  -0.02
     6   7     0.10  -0.06  -0.05    -0.00   0.04  -0.05     0.01   0.04  -0.04
     7   6     0.16  -0.08   0.02     0.02  -0.03   0.02     0.06  -0.06   0.08
     8   6     0.17  -0.05  -0.02     0.04  -0.00  -0.04     0.08   0.01  -0.07
     9   7     0.11  -0.03   0.05     0.00  -0.01  -0.00    -0.04  -0.05   0.06
    10   7    -0.03   0.12   0.05     0.04  -0.01   0.05    -0.03  -0.01  -0.03
    11   6    -0.04   0.17  -0.02    -0.03   0.04  -0.04     0.04  -0.06   0.07
    12   6    -0.01   0.18   0.02     0.01   0.05   0.06    -0.02  -0.07  -0.06
    13   7     0.00   0.12  -0.05    -0.02   0.00  -0.01     0.05   0.02   0.06
    14   1     0.22  -0.11  -0.06     0.08  -0.06  -0.09     0.22  -0.14  -0.17
    15   1     0.14   0.01  -0.10     0.04   0.07  -0.09     0.07   0.19  -0.20
    16   1     0.23  -0.08   0.06     0.13  -0.04   0.06     0.25  -0.05   0.18
    17   1     0.09  -0.11   0.10    -0.05  -0.08   0.09    -0.07  -0.18   0.20
    18   1    -0.02   0.25  -0.06    -0.00   0.18  -0.10    -0.02  -0.21   0.16
    19   1    -0.08   0.12  -0.10    -0.13  -0.03  -0.13     0.16   0.01   0.17
    20   1    -0.05   0.24   0.06    -0.05   0.14   0.12     0.06  -0.22  -0.14
    21   1     0.05   0.13   0.10     0.12   0.03   0.13    -0.17  -0.02  -0.17
    22   1    -0.20  -0.13  -0.06     0.25   0.13   0.19     0.03   0.03  -0.00
    23   1    -0.06  -0.13  -0.09    -0.13   0.17   0.21    -0.02   0.01   0.02
    24   1    -0.18  -0.16   0.06     0.19   0.20  -0.19    -0.00   0.01  -0.03
    25   1    -0.14  -0.03   0.09     0.13  -0.17  -0.21     0.02   0.00  -0.02
    26   1    -0.10  -0.06  -0.05    -0.06   0.07   0.21     0.04   0.01  -0.07
    27   1    -0.07  -0.03  -0.05    -0.19   0.09  -0.02     0.03  -0.04   0.00
    28   1    -0.09  -0.09   0.04     0.06  -0.07  -0.19    -0.01  -0.05  -0.10
    29   1    -0.05  -0.06   0.05     0.03  -0.19   0.02     0.04  -0.08   0.00
    30   1     0.00   0.13  -0.04    -0.04   0.02  -0.05     0.09   0.03   0.21
    31   1     0.02   0.08  -0.05    -0.05  -0.06   0.01     0.17   0.10  -0.02
    32   1    -0.03   0.12   0.05     0.08  -0.02   0.19    -0.06  -0.03  -0.11
    33   1    -0.03   0.07   0.05     0.17  -0.04  -0.02    -0.11   0.06   0.02
    34   1     0.11  -0.06  -0.04    -0.01   0.07  -0.16     0.04   0.07  -0.15
    35   1     0.06  -0.05  -0.05     0.01   0.14   0.01    -0.03   0.16   0.02
    36   1     0.12  -0.04   0.05     0.02  -0.03   0.01    -0.06  -0.09   0.22
    37   1     0.07  -0.02   0.05    -0.03  -0.00  -0.01    -0.17  -0.15  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.9809               327.5257               328.2693
 Red. masses --      1.7103                 3.6671                 3.6244
 Frc consts  --      0.0943                 0.2318                 0.2301
 IR Inten    --      0.0089                 9.2256                 9.2272
 RamAct Fr= 1--      2.3098                 3.1745                 3.1999
  Dep-P Fr= 1--      0.0341                 0.7495                 0.7494
  Dep-U Fr= 1--      0.0660                 0.8568                 0.8567
 Alpha2 Fr= 1--      0.0474                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0254                 0.4533                 0.4569
 AlphaG Fr= 1--      0.1712                 0.0000                 0.0001
 Gamma2 Fr= 1--      1.2691                -1.4009                -1.4222
 Delta2 Fr= 1--     -0.1658                 0.0084                -0.0125
 Raman1 Fr= 1--       9.239                 12.698                 12.800
 ROA1   Fr= 1--     116.530               -134.215               -136.936
 CID1   Fr= 1--      12.613                -10.570                -10.698
 Raman2 Fr= 1--       0.305                  5.440                  5.483
 ROA2   Fr= 1--      31.786                -33.688                -34.033
 CID2   Fr= 1--     104.232                 -6.193                 -6.207
 Raman3 Fr= 1--       0.610                 10.880                 10.966
 ROA3   Fr= 1--     116.530               -134.215               -136.936
 CID3   Fr= 1--     191.065                -12.336                -12.488
 RC180  Fr= 1--      -0.868                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.06    -0.05  -0.06  -0.04    -0.05  -0.07  -0.06
     2   6     0.01  -0.02  -0.06    -0.04  -0.01   0.04    -0.10  -0.04   0.07
     3   7     0.00   0.07   0.02     0.01  -0.03   0.07    -0.06  -0.13  -0.00
     4  45     0.00   0.00   0.00     0.10  -0.04  -0.00     0.03   0.10   0.00
     5   7     0.07  -0.02  -0.02    -0.11  -0.03   0.03    -0.08   0.00  -0.06
     6   7    -0.02   0.06  -0.02    -0.07   0.10   0.04     0.06  -0.04   0.06
     7   6    -0.01  -0.02   0.06    -0.11   0.01   0.07     0.03  -0.01  -0.01
     8   6     0.01   0.03  -0.06    -0.09   0.07  -0.07    -0.02   0.01   0.00
     9   7    -0.06  -0.03   0.02    -0.13  -0.01  -0.03    -0.05   0.02   0.06
    10   7     0.06  -0.04   0.02    -0.05   0.10  -0.03     0.06  -0.06  -0.06
    11   6    -0.03  -0.00  -0.06     0.01   0.07   0.04    -0.01  -0.09  -0.06
    12   6     0.03   0.01   0.06    -0.02   0.03  -0.03     0.04  -0.10   0.07
    13   7    -0.05  -0.05  -0.02     0.02   0.00  -0.07    -0.04  -0.13   0.01
    14   1     0.11  -0.08  -0.14    -0.02  -0.03  -0.16     0.01   0.01   0.02
    15   1     0.02   0.16  -0.14    -0.05   0.20  -0.11    -0.05  -0.01  -0.03
    16   1     0.13  -0.02   0.14     0.01   0.04   0.16    -0.01   0.01  -0.01
    17   1    -0.10  -0.13   0.14    -0.17  -0.11   0.11     0.06  -0.02  -0.05
    18   1     0.02   0.14  -0.15    -0.01  -0.01   0.07     0.04  -0.00  -0.14
    19   1    -0.16  -0.06  -0.15     0.05   0.11   0.09    -0.14  -0.10  -0.08
    20   1    -0.05   0.14   0.15     0.03   0.01  -0.08    -0.03  -0.00   0.14
    21   1     0.17  -0.02   0.15    -0.09  -0.01  -0.01     0.16  -0.11   0.11
    22   1    -0.13  -0.06  -0.14     0.01  -0.03   0.09     0.03  -0.02   0.14
    23   1     0.13  -0.10  -0.14    -0.08   0.07   0.03    -0.19   0.04   0.12
    24   1    -0.09  -0.11   0.14    -0.00   0.02  -0.09    -0.03   0.03  -0.14
    25   1    -0.06   0.15   0.14    -0.04  -0.14  -0.10     0.04  -0.17  -0.07
    26   1     0.09  -0.04  -0.14    -0.20  -0.03   0.23    -0.07   0.03  -0.01
    27   1     0.18  -0.07   0.05    -0.25   0.10  -0.08    -0.14  -0.01  -0.08
    28   1    -0.01   0.10   0.14     0.04   0.00   0.10    -0.07  -0.20  -0.22
    29   1    -0.02   0.19  -0.05    -0.06  -0.01   0.04     0.01  -0.30   0.11
    30   1    -0.08  -0.07  -0.16     0.02  -0.05  -0.13    -0.09  -0.18  -0.19
    31   1    -0.16  -0.13   0.05    -0.05   0.03  -0.03    -0.20  -0.20   0.11
    32   1     0.09  -0.04   0.14    -0.11   0.16  -0.24     0.08  -0.05   0.01
    33   1     0.17  -0.08  -0.05    -0.23   0.09   0.07     0.11  -0.11  -0.09
    34   1    -0.02   0.10  -0.14    -0.07   0.14  -0.10     0.10  -0.10   0.21
    35   1    -0.03   0.18   0.05    -0.08   0.22   0.11    -0.00  -0.18  -0.03
    36   1    -0.08  -0.06   0.14    -0.16  -0.04   0.13    -0.12   0.01   0.19
    37   1    -0.15  -0.11  -0.05    -0.23  -0.11  -0.11    -0.08  -0.11  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3837               406.8987               407.1900
 Red. masses --      3.7095                 4.8639                 4.8637
 Frc consts  --      0.3539                 0.4745                 0.4751
 IR Inten    --      0.1622                 3.1760                 3.0218
 RamAct Fr= 1--      0.0406                 4.8915                 4.9728
  Dep-P Fr= 1--      0.7438                 0.7499                 0.7498
  Dep-U Fr= 1--      0.8531                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0058                 0.6987                 0.7103
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0172                -2.0600                -2.0147
 Delta2 Fr= 1--     -0.0027                -0.2786                -0.2845
 Raman1 Fr= 1--       0.163                 19.566                 19.891
 ROA1   Fr= 1--      -1.738               -206.675               -202.511
 CID1   Fr= 1--     -10.694                -10.563                -10.181
 Raman2 Fr= 1--       0.069                  8.385                  8.524
 ROA2   Fr= 1--      -0.391                -47.211                -46.076
 CID2   Fr= 1--      -5.635                 -5.630                 -5.406
 Raman3 Fr= 1--       0.139                 16.770                 17.047
 ROA3   Fr= 1--      -1.738               -206.675               -202.511
 CID3   Fr= 1--     -12.536                -12.324                -11.879
 RC180  Fr= 1--       0.706                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.03     0.04   0.10  -0.02    -0.05  -0.09   0.02
     2   6    -0.08   0.00  -0.03    -0.12  -0.02  -0.03     0.08   0.00   0.02
     3   7    -0.09  -0.04  -0.05    -0.18  -0.05  -0.13     0.10   0.03   0.08
     4  45    -0.00   0.01   0.09     0.08  -0.02   0.01     0.02   0.08  -0.01
     5   7     0.06   0.07  -0.05     0.09   0.13  -0.11    -0.08  -0.13   0.10
     6   7    -0.12   0.01  -0.07    -0.06  -0.00  -0.04    -0.19   0.01  -0.13
     7   6    -0.10  -0.02  -0.03    -0.04   0.01  -0.01    -0.13  -0.01  -0.03
     8   6     0.05  -0.08  -0.04    -0.01  -0.01  -0.00     0.08  -0.10  -0.03
     9   7     0.10  -0.08  -0.07     0.00   0.00  -0.00     0.15  -0.14  -0.14
    10   7     0.01   0.11  -0.06    -0.04  -0.17   0.12    -0.03  -0.11   0.08
    11   6     0.04   0.08  -0.03    -0.05  -0.11   0.02    -0.02  -0.07   0.02
    12   6     0.06  -0.07  -0.03    -0.07   0.11   0.03    -0.04   0.03   0.01
    13   7     0.04  -0.10  -0.07    -0.09   0.17   0.14    -0.03   0.06   0.05
    14   1     0.08  -0.13  -0.08    -0.01  -0.01  -0.01     0.07  -0.13  -0.07
    15   1     0.14   0.01   0.00     0.00  -0.00   0.00     0.22  -0.01   0.06
    16   1    -0.14  -0.04  -0.08    -0.05   0.00  -0.02    -0.14  -0.04  -0.06
    17   1    -0.09   0.10   0.00    -0.05   0.05   0.01    -0.15   0.14   0.06
    18   1     0.07   0.12  -0.07    -0.07  -0.11   0.06    -0.04  -0.09   0.04
    19   1    -0.07   0.11   0.00     0.08  -0.17  -0.06     0.06  -0.11  -0.03
    20   1     0.10  -0.10  -0.08    -0.10   0.10   0.06    -0.05   0.03   0.03
    21   1    -0.05  -0.13  -0.00     0.04   0.21  -0.06     0.01   0.07  -0.02
    22   1    -0.13   0.00  -0.07    -0.15  -0.00  -0.06     0.09  -0.02   0.04
    23   1    -0.05  -0.10  -0.00    -0.11  -0.17   0.06     0.06   0.10  -0.03
    24   1     0.03   0.13  -0.07     0.02   0.12  -0.06    -0.04  -0.12   0.05
    25   1     0.11   0.02  -0.01     0.16   0.05   0.05    -0.16  -0.05  -0.04
    26   1     0.11   0.06  -0.22     0.04   0.09  -0.09    -0.11  -0.14   0.14
    27   1     0.13  -0.06   0.04     0.12   0.17  -0.11    -0.14  -0.14   0.08
    28   1    -0.09  -0.10  -0.22    -0.19  -0.06  -0.16     0.06   0.00   0.06
    29   1     0.03  -0.15   0.04    -0.22  -0.11  -0.11     0.14   0.05   0.09
    30   1     0.01  -0.15  -0.24    -0.09   0.16   0.13    -0.02   0.00   0.02
    31   1    -0.11  -0.11   0.02    -0.11   0.24   0.13    -0.04   0.08   0.05
    32   1    -0.03   0.14  -0.23    -0.05  -0.12   0.09    -0.02  -0.15   0.12
    33   1    -0.14   0.07   0.02    -0.06  -0.24   0.13     0.01  -0.14   0.05
    34   1    -0.13   0.07  -0.24    -0.11   0.02  -0.08    -0.15  -0.01  -0.11
    35   1    -0.05   0.15   0.02    -0.06   0.04  -0.02    -0.27   0.01  -0.14
    36   1     0.15  -0.05  -0.24    -0.05   0.02   0.02     0.12  -0.13  -0.12
    37   1     0.14   0.07   0.02    -0.00  -0.02  -0.01     0.21  -0.19  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    463.2633               463.6083               500.8848
 Red. masses --      4.0188                 4.0242                 4.1867
 Frc consts  --      0.5082                 0.5096                 0.6189
 IR Inten    --      7.3678                 7.2955                 0.0006
 RamAct Fr= 1--      4.2183                 4.2508                50.1865
  Dep-P Fr= 1--      0.7490                 0.7498                 0.0021
  Dep-U Fr= 1--      0.8565                 0.8570                 0.0043
 Alpha2 Fr= 1--      0.0001                 0.0000                 1.1097
 Beta2  Fr= 1--      0.6022                 0.6072                 0.0357
 AlphaG Fr= 1--      0.0000                 0.0000                 1.0774
 Gamma2 Fr= 1--      0.3289                 0.3144                 0.1625
 Delta2 Fr= 1--      0.0618                 0.0705                 0.0153
 Raman1 Fr= 1--      16.873                 17.003                200.746
 ROA1   Fr= 1--      33.551                 32.435                 16.090
 CID1   Fr= 1--       1.988                  1.908                  0.080
 Raman2 Fr= 1--       7.226                  7.286                  0.428
 ROA2   Fr= 1--       7.399                  6.981                  3.778
 CID2   Fr= 1--       1.024                  0.958                  8.830
 Raman3 Fr= 1--      14.452                 14.572                  0.856
 ROA3   Fr= 1--      33.551                 32.435                 16.090
 CID3   Fr= 1--       2.322                  2.226                 18.803
 RC180  Fr= 1--       0.713                  0.714                 -0.991
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04     0.02   0.04   0.00     0.01   0.00   0.02
     2   6     0.04   0.01  -0.03    -0.03  -0.00  -0.01     0.01   0.00  -0.02
     3   7    -0.15   0.05  -0.20    -0.07   0.01  -0.06    -0.13   0.03  -0.15
     4  45     0.03   0.01   0.00    -0.01   0.03   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.17   0.20     0.01  -0.01   0.04    -0.01  -0.13   0.15
     6   7    -0.07  -0.06  -0.14     0.13   0.07   0.16     0.12   0.06   0.16
     7   6     0.04  -0.00  -0.02     0.00   0.01   0.03    -0.01   0.00   0.02
     8   6     0.00   0.01   0.03    -0.03   0.03  -0.02    -0.01   0.00  -0.02
     9   7    -0.04   0.13   0.15     0.01  -0.10  -0.14     0.04  -0.12  -0.15
    10   7    -0.02  -0.00   0.05    -0.12  -0.12   0.20     0.09   0.10  -0.15
    11   6     0.01   0.04   0.00    -0.00   0.02   0.04     0.00  -0.01  -0.02
    12   6     0.02  -0.02  -0.01    -0.01   0.03  -0.03     0.00  -0.01   0.02
    13   7     0.06  -0.05  -0.07     0.14  -0.07  -0.20    -0.11   0.07   0.15
    14   1     0.01   0.03   0.05    -0.08   0.05  -0.01    -0.05   0.01  -0.02
    15   1    -0.10  -0.04  -0.06     0.05   0.01   0.09     0.09  -0.00   0.09
    16   1     0.09  -0.02  -0.02     0.01   0.03   0.06    -0.05   0.02   0.02
    17   1    -0.03   0.04   0.08     0.05  -0.10  -0.06     0.07  -0.06  -0.09
    18   1     0.02   0.09  -0.02    -0.03   0.04   0.06     0.01  -0.05  -0.02
    19   1    -0.02   0.00  -0.05     0.09  -0.08  -0.09    -0.04   0.08   0.09
    20   1     0.05  -0.04  -0.04    -0.01   0.08  -0.04     0.00  -0.05   0.02
    21   1    -0.05  -0.06   0.01    -0.05  -0.08   0.11     0.02   0.08  -0.09
    22   1     0.07   0.05  -0.04    -0.06   0.00  -0.04     0.05   0.03  -0.02
    23   1    -0.03  -0.09   0.11    -0.01  -0.07   0.01    -0.05  -0.07   0.09
    24   1     0.05   0.01   0.06     0.04   0.08  -0.02     0.04   0.02   0.02
    25   1    -0.13   0.00  -0.10     0.02  -0.01  -0.04    -0.08  -0.02  -0.09
    26   1    -0.05  -0.26   0.13     0.03  -0.03  -0.04    -0.01  -0.16   0.05
    27   1     0.01  -0.24   0.23     0.05  -0.09   0.09     0.02  -0.19   0.19
    28   1    -0.24   0.03  -0.09    -0.11  -0.02  -0.10    -0.16   0.04  -0.05
    29   1    -0.24   0.10  -0.25    -0.04  -0.03  -0.03    -0.19   0.07  -0.19
    30   1     0.06  -0.10  -0.10     0.19  -0.15  -0.09    -0.14   0.09   0.05
    31   1     0.01  -0.05  -0.04     0.23  -0.10  -0.24    -0.18   0.08   0.19
    32   1    -0.04  -0.01  -0.04    -0.14  -0.22   0.13     0.11   0.13  -0.05
    33   1    -0.11  -0.04   0.10    -0.17  -0.16   0.23     0.15   0.13  -0.19
    34   1    -0.13  -0.07  -0.02     0.21   0.05   0.13     0.15   0.08   0.05
    35   1    -0.15  -0.14  -0.19     0.14   0.07   0.16     0.16   0.12   0.20
    36   1    -0.11   0.18   0.13     0.05  -0.15  -0.03     0.05  -0.16  -0.05
    37   1    -0.05   0.14   0.15     0.01  -0.21  -0.20     0.03  -0.19  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.2913               536.4347               567.4495
 Red. masses --      1.6558                 1.6541                 1.9025
 Frc consts  --      0.2806                 0.2804                 0.3609
 IR Inten    --      2.4354                 2.4415                 1.9122
 RamAct Fr= 1--      0.2406                 0.2542                 0.0012
  Dep-P Fr= 1--      0.7489                 0.6944                 0.6700
  Dep-U Fr= 1--      0.8564                 0.8197                 0.8024
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0343                 0.0347                 0.0002
 AlphaG Fr= 1--     -0.0000                 0.0004                 0.0000
 Gamma2 Fr= 1--      0.5856                 0.5973                -0.0008
 Delta2 Fr= 1--      0.3222                 0.3297                -0.0008
 Raman1 Fr= 1--       0.962                  1.017                  0.005
 ROA1   Fr= 1--      66.527                 67.887                 -0.102
 CID1   Fr= 1--      69.130                 66.768                -20.682
 Raman2 Fr= 1--       0.412                  0.417                  0.002
 ROA2   Fr= 1--      11.477                 11.696                 -0.013
 CID2   Fr= 1--      27.851                 28.068                 -6.548
 Raman3 Fr= 1--       0.824                  0.833                  0.004
 ROA3   Fr= 1--      66.527                 67.887                 -0.102
 CID3   Fr= 1--      80.722                 81.457                -25.775
 RC180  Fr= 1--       0.713                  0.639                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.01     0.02   0.09  -0.02    -0.01  -0.07   0.01
     2   6     0.04  -0.00   0.01    -0.08   0.01  -0.02     0.07  -0.01   0.01
     3   7     0.00   0.02  -0.02     0.02  -0.03   0.08    -0.03   0.02  -0.07
     4  45    -0.01  -0.00  -0.00     0.00  -0.01   0.00     0.00   0.00   0.04
     5   7    -0.00   0.02  -0.04     0.03  -0.03   0.07    -0.01   0.03  -0.07
     6   7     0.00  -0.03  -0.04    -0.02  -0.03  -0.07    -0.02  -0.02  -0.07
     7   6     0.06   0.02   0.01     0.06   0.03   0.02     0.06   0.02   0.01
     8   6    -0.02   0.05   0.02    -0.03   0.07   0.02    -0.03   0.06   0.01
     9   7    -0.00  -0.03  -0.06    -0.02  -0.02  -0.06    -0.00  -0.03  -0.07
    10   7    -0.04  -0.00   0.08     0.01   0.01  -0.03     0.03   0.02  -0.07
    11   6     0.06   0.08  -0.02    -0.01  -0.00   0.00    -0.04  -0.05   0.01
    12   6     0.07  -0.06  -0.02    -0.01   0.02   0.00    -0.05   0.04   0.01
    13   7    -0.04  -0.01   0.08     0.00   0.01   0.00     0.03  -0.01  -0.07
    14   1    -0.12   0.16   0.10    -0.14   0.20   0.12    -0.14   0.21   0.12
    15   1    -0.03  -0.11   0.11    -0.05  -0.12   0.12    -0.03  -0.14   0.13
    16   1     0.19   0.04   0.10     0.25   0.04   0.13     0.25   0.04   0.12
    17   1    -0.03  -0.09   0.09    -0.07  -0.12   0.13    -0.07  -0.12   0.13
    18   1     0.13   0.28  -0.16    -0.02  -0.05   0.03    -0.11  -0.23   0.12
    19   1    -0.16  -0.03  -0.16     0.03   0.02   0.03     0.14   0.04   0.13
    20   1     0.20  -0.24  -0.16    -0.03   0.03   0.02    -0.16   0.19   0.12
    21   1    -0.17  -0.01  -0.16     0.02   0.02   0.01     0.14  -0.01   0.13
    22   1     0.11   0.01   0.06    -0.29  -0.02  -0.15     0.25   0.02   0.12
    23   1    -0.03   0.05   0.05     0.10  -0.12  -0.15    -0.10   0.10   0.13
    24   1    -0.04  -0.12   0.06     0.10   0.27  -0.15    -0.09  -0.24   0.12
    25   1    -0.03   0.06   0.07     0.09  -0.12  -0.15    -0.07   0.13   0.13
    26   1    -0.03   0.04   0.09     0.02  -0.10  -0.12    -0.00   0.09   0.06
    27   1    -0.05   0.13  -0.11     0.11  -0.17   0.16    -0.08   0.10  -0.12
    28   1    -0.04   0.00   0.02     0.09  -0.07  -0.15    -0.08   0.03   0.06
    29   1    -0.01   0.04  -0.03     0.17  -0.17   0.19    -0.08   0.10  -0.12
    30   1    -0.11   0.02  -0.15     0.00  -0.02  -0.02     0.08  -0.04   0.06
    31   1    -0.24  -0.00   0.19    -0.02   0.02   0.01     0.13   0.01  -0.12
    32   1    -0.10  -0.05  -0.14     0.03  -0.00   0.06     0.06   0.06   0.06
    33   1    -0.22  -0.05   0.18     0.08   0.04  -0.07     0.13   0.02  -0.12
    34   1    -0.05  -0.04   0.06    -0.06  -0.08   0.14    -0.07  -0.05   0.06
    35   1    -0.03  -0.10  -0.09    -0.12  -0.19  -0.17    -0.05  -0.12  -0.12
    36   1    -0.02  -0.08   0.12     0.01  -0.09   0.09     0.02  -0.08   0.05
    37   1    -0.04  -0.19  -0.15    -0.06  -0.14  -0.13    -0.05  -0.12  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --    689.1541               689.9693               698.5177
 Red. masses --      1.2804                 1.2782                 1.4038
 Frc consts  --      0.3583                 0.3585                 0.4036
 IR Inten    --      1.4153                 1.3810                 1.3084
 RamAct Fr= 1--      1.1098                 1.1377                 0.0029
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7024
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8252
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1585                 0.1625                 0.0004
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--      6.9813                 6.9281                -0.0032
 Delta2 Fr= 1--      0.0508                 0.0388                -0.0008
 Raman1 Fr= 1--       4.439                  4.551                  0.012
 ROA1   Fr= 1--     671.826                666.340                 -0.329
 CID1   Fr= 1--     151.342                146.419                -28.345
 Raman2 Fr= 1--       1.902                  1.950                  0.005
 ROA2   Fr= 1--     167.144                165.964                 -0.070
 CID2   Fr= 1--      87.862                 85.092                -14.624
 Raman3 Fr= 1--       3.805                  3.901                  0.010
 ROA3   Fr= 1--     671.826                666.340                 -0.329
 CID3   Fr= 1--     176.579                170.822                -34.349
 RC180  Fr= 1--       0.714                  0.714                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.02   0.00  -0.01    -0.00   0.03  -0.01
     2   6     0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.03   0.01  -0.01
     3   7    -0.03   0.03   0.01     0.03  -0.06  -0.02     0.01  -0.06  -0.01
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     5   7     0.03  -0.03  -0.02    -0.04   0.05   0.01     0.05  -0.03  -0.01
     6   7     0.02   0.03  -0.00     0.02   0.07  -0.02    -0.00   0.06  -0.01
     7   6    -0.01   0.01   0.01    -0.00   0.02  -0.00    -0.03  -0.02  -0.01
     8   6    -0.00  -0.01   0.01    -0.02  -0.01  -0.00     0.01  -0.03  -0.01
     9   7    -0.02  -0.02   0.02    -0.03  -0.06   0.02     0.05   0.04  -0.01
    10   7    -0.08  -0.00  -0.02    -0.01  -0.01   0.01    -0.06   0.02  -0.01
    11   6    -0.01   0.01   0.00     0.00   0.01   0.01     0.03   0.02  -0.01
    12   6     0.01   0.01  -0.00     0.00  -0.00   0.01     0.03  -0.02  -0.01
    13   7     0.07   0.02   0.02     0.00   0.01   0.01    -0.05  -0.03  -0.01
    14   1     0.06  -0.06  -0.03     0.08  -0.05  -0.01    -0.03  -0.06  -0.06
    15   1     0.00   0.07  -0.04    -0.00   0.06  -0.04     0.04  -0.00   0.01
    16   1     0.02  -0.02  -0.01     0.12  -0.01   0.03    -0.03  -0.06  -0.06
    17   1    -0.01  -0.00   0.00    -0.07  -0.07   0.05    -0.02   0.03   0.00
    18   1    -0.01  -0.12   0.02     0.02   0.03  -0.02     0.07   0.01  -0.06
    19   1     0.08   0.05   0.05    -0.03  -0.01  -0.02    -0.02   0.03   0.00
    20   1     0.04  -0.11  -0.02     0.03  -0.04  -0.02     0.07   0.01  -0.06
    21   1    -0.08   0.02  -0.05    -0.04   0.01  -0.02    -0.01  -0.04   0.00
    22   1    -0.03  -0.02   0.00     0.11   0.04   0.03    -0.04   0.05  -0.06
    23   1     0.02  -0.01  -0.01    -0.08   0.05   0.05    -0.02  -0.03   0.00
    24   1    -0.05  -0.08   0.03     0.05   0.06  -0.01    -0.04   0.06  -0.06
    25   1    -0.02   0.08   0.04     0.01  -0.05  -0.03     0.04   0.01   0.00
    26   1    -0.09  -0.05   0.23     0.10   0.07  -0.29    -0.12  -0.11   0.24
    27   1    -0.07   0.18  -0.14     0.07  -0.22   0.17    -0.04   0.20  -0.14
    28   1    -0.06  -0.04  -0.18     0.11   0.10   0.32     0.14   0.10   0.25
    29   1     0.12  -0.07   0.10    -0.21   0.15  -0.20    -0.19   0.09  -0.15
    30   1     0.01  -0.16  -0.36    -0.00  -0.03  -0.05    -0.03   0.17   0.25
    31   1    -0.29   0.05   0.22    -0.05  -0.00   0.04     0.20  -0.07  -0.14
    32   1     0.03  -0.16   0.37    -0.01   0.01   0.00     0.01  -0.17   0.24
    33   1     0.27   0.13  -0.23    -0.01   0.01   0.01     0.17   0.11  -0.14
    34   1     0.05  -0.02   0.14     0.14  -0.07   0.34     0.15  -0.06   0.24
    35   1    -0.07  -0.08  -0.08    -0.18  -0.22  -0.21    -0.15  -0.13  -0.14
    36   1     0.08  -0.02  -0.18     0.12  -0.05  -0.32    -0.16   0.07   0.26
    37   1     0.02   0.15   0.11     0.02   0.25   0.19     0.01  -0.21  -0.15
                     28                     29                     30
                      A                      A                      A
 Frequencies --    716.1516               771.0379               771.9750
 Red. masses --      1.3168                 1.4415                 1.4397
 Frc consts  --      0.3979                 0.5049                 0.5055
 IR Inten    --      0.0013                17.4278                17.5667
 RamAct Fr= 1--      1.5440                 0.7897                 0.8174
  Dep-P Fr= 1--      0.1313                 0.7490                 0.7471
  Dep-U Fr= 1--      0.2322                 0.8565                 0.8552
 Alpha2 Fr= 1--      0.0250                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0597                 0.1127                 0.1165
 AlphaG Fr= 1--     -0.3945                 0.0000                -0.0001
 Gamma2 Fr= 1--     -4.1045                -3.0017                -2.9789
 Delta2 Fr= 1--      0.4776                -0.0272                -0.0249
 Raman1 Fr= 1--       6.176                  3.159                  3.270
 ROA1   Fr= 1--    -378.753               -289.030               -286.771
 CID1   Fr= 1--     -61.328                -91.499                -87.706
 Raman2 Fr= 1--       0.717                  1.353                  1.398
 ROA2   Fr= 1--    -102.330                -71.822                -71.295
 CID2   Fr= 1--    -142.727                -53.093                -50.992
 Raman3 Fr= 1--       1.434                  2.706                  2.796
 ROA3   Fr= 1--    -378.753               -289.030               -286.771
 CID3   Fr= 1--    -264.138               -106.829               -102.553
 RC180  Fr= 1--      -0.536                  0.713                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.00    -0.00  -0.03  -0.01     0.01  -0.03  -0.01
     2   6     0.00   0.02  -0.00     0.02  -0.01  -0.01     0.04  -0.01  -0.01
     3   7    -0.03   0.05   0.01    -0.03   0.04   0.01    -0.04   0.06   0.02
     4  45     0.00   0.00   0.00     0.02  -0.00   0.00    -0.00  -0.02   0.00
     5   7     0.04  -0.05  -0.01    -0.04   0.04   0.01    -0.05   0.05   0.01
     6   7     0.02   0.06  -0.01    -0.01  -0.03   0.00     0.02   0.08  -0.02
     7   6    -0.01   0.01   0.00     0.01   0.01  -0.00    -0.03  -0.02   0.01
     8   6    -0.02  -0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.04   0.01
     9   7    -0.03  -0.05   0.01    -0.02  -0.03   0.01     0.04   0.07  -0.01
    10   7     0.06   0.00   0.01    -0.09  -0.00  -0.02     0.01   0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.03   0.03   0.01    -0.00   0.00  -0.00
    12   6    -0.01  -0.01   0.00     0.04  -0.02   0.01    -0.01   0.01  -0.00
    13   7    -0.06  -0.01  -0.01    -0.09  -0.02  -0.02     0.01   0.01   0.01
    14   1     0.06  -0.05  -0.02     0.01   0.06   0.04    -0.01  -0.14  -0.11
    15   1     0.00   0.08  -0.04    -0.02  -0.02   0.00     0.05   0.07  -0.01
    16   1     0.08  -0.01   0.02     0.04   0.04   0.05    -0.09  -0.11  -0.11
    17   1    -0.06  -0.06   0.04    -0.01  -0.04   0.00     0.01   0.08  -0.01
    18   1     0.01   0.08  -0.02     0.14   0.06  -0.12    -0.02  -0.01   0.02
    19   1    -0.07  -0.04  -0.04    -0.09   0.01  -0.01     0.02   0.01   0.00
    20   1    -0.03   0.07   0.02     0.15  -0.03  -0.12    -0.02  -0.00   0.01
    21   1     0.08  -0.02   0.04    -0.08  -0.03  -0.01     0.01   0.01   0.00
    22   1    -0.08  -0.03  -0.02     0.08  -0.05   0.07     0.10  -0.07   0.09
    23   1     0.07  -0.04  -0.04    -0.03   0.05   0.01    -0.02   0.07   0.01
    24   1    -0.05  -0.07   0.02     0.03  -0.09   0.07     0.04  -0.12   0.09
    25   1    -0.02   0.08   0.04    -0.04   0.03   0.01    -0.05   0.05   0.01
    26   1    -0.10  -0.08   0.26     0.10   0.09  -0.21     0.12   0.11  -0.27
    27   1    -0.08   0.19  -0.16     0.03  -0.17   0.13     0.04  -0.22   0.15
    28   1    -0.10  -0.07  -0.26    -0.11  -0.06  -0.20    -0.14  -0.09  -0.27
    29   1     0.16  -0.13   0.16     0.15  -0.08   0.12     0.20  -0.10   0.16
    30   1    -0.02   0.12   0.26    -0.05   0.20   0.34     0.01  -0.03  -0.05
    31   1     0.20  -0.03  -0.16     0.26  -0.09  -0.20    -0.04   0.02   0.03
    32   1    -0.01   0.12  -0.25     0.01  -0.20   0.33     0.00   0.02  -0.04
    33   1    -0.18  -0.08   0.15     0.23   0.16  -0.20    -0.03  -0.02   0.02
    34   1     0.12  -0.05   0.26    -0.07   0.02  -0.13     0.18  -0.06   0.31
    35   1    -0.13  -0.17  -0.16     0.08   0.07   0.07    -0.20  -0.17  -0.19
    36   1     0.11  -0.05  -0.25     0.07  -0.04  -0.13    -0.17   0.09   0.31
    37   1     0.03   0.20   0.16    -0.01   0.11   0.08     0.02  -0.26  -0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.4167               866.4630               868.8075
 Red. masses --      3.0280                 3.0075                 3.2052
 Frc consts  --      1.3392                 1.3303                 1.4254
 IR Inten    --     14.2994                14.2424                 0.0312
 RamAct Fr= 1--      0.5737                 0.6382                 7.9673
  Dep-P Fr= 1--      0.7351                 0.7225                 0.0172
  Dep-U Fr= 1--      0.8473                 0.8389                 0.0339
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.1700
 Beta2  Fr= 1--      0.0810                 0.0892                 0.0450
 AlphaG Fr= 1--     -0.0001                -0.0001                -0.0894
 Gamma2 Fr= 1--      2.6604                 2.9584                -1.6662
 Delta2 Fr= 1--      1.3665                 1.4487                -1.3657
 Raman1 Fr= 1--       2.295                  2.553                 31.869
 ROA1   Fr= 1--     299.121                330.359               -203.658
 CID1   Fr= 1--     130.345                129.415                 -6.390
 Raman2 Fr= 1--       0.972                  1.071                  0.540
 ROA2   Fr= 1--      52.917                 59.411                -29.064
 CID2   Fr= 1--      54.427                 55.484                -53.802
 Raman3 Fr= 1--       1.945                  2.142                  1.080
 ROA3   Fr= 1--     299.121                330.359               -203.658
 CID3   Fr= 1--     153.829                154.262               -188.504
 RC180  Fr= 1--       0.695                  0.678                 -0.932
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.07     0.04   0.16  -0.03    -0.03  -0.13   0.02
     2   6     0.04  -0.01   0.07     0.16  -0.00   0.01    -0.13   0.00  -0.00
     3   7     0.02   0.04  -0.04    -0.06  -0.09   0.06     0.05   0.07  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.08  -0.03  -0.06    -0.08  -0.03  -0.05     0.07   0.03   0.04
     6   7    -0.09   0.08   0.08     0.01  -0.02  -0.02    -0.09   0.07   0.07
     7   6     0.15   0.04  -0.01     0.06   0.03   0.08     0.14   0.04  -0.01
     8   6     0.07  -0.14  -0.04     0.04  -0.05   0.06     0.07  -0.13  -0.04
     9   7    -0.07   0.01  -0.04    -0.10   0.01  -0.07    -0.07   0.01  -0.03
    10   7    -0.05   0.12   0.08     0.00  -0.01   0.00     0.04  -0.10  -0.07
    11   6    -0.06  -0.12  -0.03     0.07   0.10  -0.07     0.07   0.12  -0.00
    12   6     0.11  -0.09  -0.06    -0.07   0.08  -0.05    -0.11   0.10   0.03
    13   7     0.00   0.04  -0.02    -0.02  -0.12   0.08    -0.01  -0.08   0.04
    14   1    -0.05  -0.00   0.06     0.06  -0.16  -0.05    -0.05   0.00   0.05
    15   1    -0.08  -0.37  -0.07     0.02   0.09  -0.04    -0.08  -0.35  -0.07
    16   1     0.08   0.07  -0.01    -0.13  -0.02  -0.08     0.07   0.08  -0.00
    17   1     0.12   0.18   0.08     0.18   0.28   0.03     0.11   0.17   0.07
    18   1    -0.11  -0.09   0.01    -0.03  -0.11   0.08     0.08   0.02   0.01
    19   1    -0.12  -0.04   0.07     0.38   0.12  -0.05     0.23   0.08  -0.07
    20   1    -0.02   0.07   0.07    -0.14   0.08   0.04    -0.03  -0.04  -0.04
    21   1     0.40  -0.02  -0.06    -0.03   0.00   0.06    -0.33   0.02   0.07
    22   1    -0.15  -0.00  -0.07     0.06  -0.05  -0.03    -0.05   0.04   0.02
    23   1     0.20  -0.19   0.01     0.20  -0.18   0.08    -0.16   0.15  -0.06
    24   1     0.02   0.16  -0.06    -0.04   0.03   0.04     0.03  -0.02  -0.03
    25   1     0.07  -0.14  -0.02    -0.15   0.29  -0.08     0.13  -0.24   0.06
    26   1    -0.02   0.01  -0.13    -0.15  -0.12  -0.11     0.12   0.10   0.10
    27   1     0.00  -0.02  -0.03    -0.05  -0.07  -0.03     0.03   0.06   0.01
    28   1    -0.06  -0.02  -0.08    -0.15  -0.12   0.14     0.12   0.09  -0.13
    29   1    -0.02  -0.02  -0.02    -0.08  -0.03   0.03     0.06   0.01  -0.02
    30   1    -0.04   0.18  -0.04    -0.00  -0.12   0.17     0.03  -0.18   0.09
    31   1    -0.02   0.07  -0.01     0.03  -0.05   0.04     0.03  -0.07   0.02
    32   1    -0.03   0.15   0.17     0.00  -0.15   0.00     0.02  -0.17  -0.13
    33   1     0.02   0.07   0.04    -0.00  -0.07   0.00    -0.01  -0.08  -0.03
    34   1    -0.16   0.08   0.16    -0.10   0.02  -0.05    -0.16   0.07   0.15
    35   1    -0.08   0.01   0.04    -0.04   0.01  -0.01    -0.07   0.00   0.04
    36   1    -0.18   0.08  -0.08    -0.06   0.00  -0.15    -0.16   0.08  -0.08
    37   1    -0.07   0.05  -0.02    -0.01   0.03  -0.03    -0.06   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9604               869.0746               878.0459
 Red. masses --      2.6494                 2.6150                 2.4581
 Frc consts  --      1.1787                 1.1637                 1.1165
 IR Inten    --      0.0504                 0.0109                 0.2974
 RamAct Fr= 1--      3.4620                 3.4615                 0.0031
  Dep-P Fr= 1--      0.6749                 0.7470                 0.5454
  Dep-U Fr= 1--      0.8059                 0.8552                 0.7059
 Alpha2 Fr= 1--      0.0046                 0.0002                 0.0000
 Beta2  Fr= 1--      0.4650                 0.4934                 0.0004
 AlphaG Fr= 1--     -0.0021                -0.0002                -0.0000
 Gamma2 Fr= 1--     -0.3707                -0.1940                -0.0004
 Delta2 Fr= 1--     -1.0457                -1.0010                -0.0008
 Raman1 Fr= 1--      13.848                 13.846                  0.012
 ROA1   Fr= 1--     -69.049                -50.655                 -0.065
 CID1   Fr= 1--      -4.986                 -3.658                 -5.256
 Raman2 Fr= 1--       5.580                  5.920                  0.004
 ROA2   Fr= 1--      -0.530                  3.353                 -0.003
 CID2   Fr= 1--      -0.095                  0.566                 -0.792
 Raman3 Fr= 1--      11.161                 11.841                  0.009
 ROA3   Fr= 1--     -69.049                -50.655                 -0.065
 CID3   Fr= 1--      -6.187                 -4.278                 -7.446
 RC180  Fr= 1--       0.612                  0.710                  0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.11  -0.00     0.01  -0.03   0.12     0.01  -0.01   0.09
     2   6     0.12  -0.00   0.03    -0.00  -0.02   0.11     0.00  -0.01   0.09
     3   7    -0.04  -0.04   0.04     0.06   0.09  -0.09     0.05   0.05  -0.08
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.01
     5   7    -0.07  -0.04  -0.06    -0.09  -0.02  -0.08    -0.06  -0.03  -0.08
     6   7    -0.07   0.06   0.08     0.01   0.00  -0.01     0.06  -0.04  -0.08
     7   6     0.01  -0.02  -0.10    -0.09  -0.03  -0.06     0.00   0.01   0.09
     8   6    -0.00  -0.03  -0.11    -0.05   0.07  -0.03     0.01   0.01   0.09
     9   7     0.09   0.00   0.07     0.09  -0.02   0.07    -0.07   0.01  -0.08
    10   7     0.04  -0.09  -0.09    -0.02   0.02   0.02     0.02  -0.07  -0.08
    11   6     0.00   0.03   0.08     0.04   0.06  -0.08    -0.01   0.00   0.09
    12   6    -0.04   0.02   0.10    -0.03   0.05  -0.06    -0.01  -0.01   0.09
    13   7     0.02   0.06  -0.05    -0.01  -0.10   0.08     0.00   0.07  -0.08
    14   1    -0.10   0.21   0.11     0.01   0.10   0.03     0.05  -0.20  -0.11
    15   1    -0.08  -0.33  -0.00    -0.00   0.07   0.03     0.08   0.27   0.02
    16   1     0.19   0.09   0.10     0.12  -0.01   0.07    -0.18  -0.10  -0.11
    17   1    -0.14  -0.24  -0.00    -0.19  -0.28  -0.03     0.13   0.25   0.02
    18   1     0.13   0.13  -0.08    -0.07  -0.16   0.09     0.14   0.14  -0.11
    19   1    -0.18  -0.04  -0.01     0.35   0.11  -0.02    -0.27  -0.06   0.02
    20   1     0.14  -0.15  -0.10    -0.13   0.06   0.06     0.17  -0.10  -0.11
    21   1    -0.36   0.02   0.01     0.07   0.01   0.02    -0.28  -0.01   0.02
    22   1    -0.05  -0.05  -0.04    -0.24   0.03  -0.11    -0.20   0.05  -0.12
    23   1     0.23  -0.20   0.04     0.22  -0.22  -0.00     0.19  -0.21   0.02
    24   1    -0.06   0.03   0.01     0.04   0.24  -0.12     0.00   0.21  -0.12
    25   1    -0.08   0.19  -0.04     0.17  -0.32   0.01     0.15  -0.24   0.02
    26   1    -0.12  -0.08  -0.07     0.01   0.05  -0.13    -0.03   0.02  -0.05
    27   1    -0.07  -0.05  -0.06     0.02   0.01  -0.05    -0.03   0.03  -0.09
    28   1    -0.12  -0.09   0.03    -0.03   0.03  -0.14    -0.01   0.03  -0.05
    29   1    -0.07  -0.05   0.04    -0.00   0.00  -0.06    -0.03   0.03  -0.09
    30   1     0.04  -0.06  -0.10    -0.02  -0.07   0.10     0.03   0.02  -0.04
    31   1     0.00  -0.04  -0.02    -0.00  -0.05   0.07     0.04   0.00  -0.09
    32   1     0.04  -0.03  -0.11    -0.01  -0.10   0.07     0.03  -0.01  -0.05
    33   1     0.01  -0.02  -0.07     0.01  -0.06   0.00     0.04   0.00  -0.09
    34   1     0.02   0.03   0.12     0.12  -0.03   0.02     0.00  -0.03  -0.05
    35   1    -0.00   0.01   0.06     0.07  -0.03  -0.02    -0.02  -0.04  -0.09
    36   1    -0.02   0.04   0.13     0.10  -0.02   0.08    -0.03  -0.02  -0.05
    37   1    -0.02   0.01   0.04     0.06  -0.02   0.06    -0.02  -0.04  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --    980.6483               983.4730               983.5712
 Red. masses --      2.2217                 2.2430                 2.2466
 Frc consts  --      1.2588                 1.2782                 1.2805
 IR Inten    --     12.9008                 0.0167                 0.0172
 RamAct Fr= 1--      0.0123                 3.2749                 3.2272
  Dep-P Fr= 1--      0.6499                 0.7500                 0.7494
  Dep-U Fr= 1--      0.7878                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0016                 0.4678                 0.4608
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0043                -0.5404                -0.5407
 Delta2 Fr= 1--     -0.0052                -1.3575                -1.3535
 Raman1 Fr= 1--       0.049                 13.100                 12.909
 ROA1   Fr= 1--      -0.578                -95.324                -95.219
 CID1   Fr= 1--     -11.723                 -7.277                 -7.376
 Raman2 Fr= 1--       0.019                  5.614                  5.530
 ROA2   Fr= 1--      -0.061                 -2.111                 -2.149
 CID2   Fr= 1--      -3.126                 -0.376                 -0.389
 Raman3 Fr= 1--       0.039                 11.228                 11.060
 ROA3   Fr= 1--      -0.578                -95.324                -95.219
 CID3   Fr= 1--     -14.881                 -8.490                 -8.609
 RC180  Fr= 1--       0.576                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07   0.00     0.05   0.03  -0.00    -0.13  -0.10  -0.01
     2   6    -0.09  -0.07   0.00    -0.04  -0.03   0.01     0.13   0.10  -0.00
     3   7     0.04   0.03  -0.01     0.02   0.01  -0.01    -0.07  -0.04   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.04  -0.03  -0.01    -0.02  -0.02  -0.00     0.06   0.05   0.02
     6   7     0.05  -0.02  -0.01     0.05  -0.02  -0.02     0.05  -0.02  -0.01
     7   6    -0.11   0.05   0.00    -0.11   0.04   0.01    -0.11   0.05   0.00
     8   6     0.11  -0.05   0.00     0.12  -0.05   0.00     0.11  -0.05   0.01
     9   7    -0.05   0.02  -0.01    -0.05   0.03  -0.01    -0.05   0.02  -0.02
    10   7     0.01  -0.06  -0.02    -0.01   0.08   0.02     0.00  -0.02  -0.00
    11   6    -0.02   0.13   0.00     0.02  -0.16  -0.01    -0.01   0.04  -0.00
    12   6     0.02  -0.13   0.00    -0.02   0.16  -0.00     0.01  -0.03   0.01
    13   7    -0.01   0.06  -0.02     0.01  -0.08   0.02    -0.00   0.02  -0.01
    14   1    -0.00   0.13   0.15    -0.03   0.14   0.14    -0.00   0.10   0.13
    15   1     0.13  -0.19   0.12     0.14  -0.21   0.14     0.13  -0.18   0.12
    16   1     0.10   0.09   0.15     0.08   0.08   0.14     0.11   0.07   0.14
    17   1    -0.23  -0.05   0.12    -0.23  -0.03   0.12    -0.24  -0.04   0.13
    18   1    -0.12  -0.07   0.16     0.13   0.09  -0.18    -0.04  -0.05   0.04
    19   1     0.11   0.22   0.13    -0.13  -0.28  -0.17     0.04   0.07   0.05
    20   1    -0.13   0.04   0.16     0.15  -0.07  -0.18    -0.02  -0.01   0.04
    21   1     0.16  -0.19   0.13    -0.20   0.25  -0.17     0.03  -0.05   0.03
    22   1     0.11  -0.06   0.14     0.02  -0.03   0.06    -0.16   0.06  -0.19
    23   1    -0.22  -0.01   0.11    -0.09  -0.02   0.05     0.33   0.03  -0.18
    24   1     0.03  -0.12   0.14    -0.00  -0.07   0.06    -0.03   0.16  -0.19
    25   1     0.07   0.21   0.11     0.03   0.11   0.06    -0.12  -0.30  -0.18
    26   1    -0.11  -0.11  -0.04    -0.04  -0.04  -0.00     0.17   0.16   0.04
    27   1    -0.05  -0.08  -0.00    -0.05  -0.05  -0.01     0.10   0.12   0.01
    28   1     0.14   0.08  -0.04     0.07   0.04  -0.02    -0.19  -0.11   0.03
    29   1     0.09   0.03  -0.00     0.03   0.01  -0.00    -0.16  -0.07   0.01
    30   1    -0.04   0.17  -0.05     0.05  -0.21   0.03    -0.02   0.06  -0.02
    31   1    -0.05   0.10  -0.00     0.05  -0.16   0.01    -0.01   0.01  -0.00
    32   1     0.00  -0.18  -0.04    -0.00   0.22   0.03     0.00  -0.04   0.00
    33   1    -0.02  -0.11  -0.00     0.02   0.15   0.01     0.00  -0.06  -0.01
    34   1     0.16  -0.04  -0.04     0.17  -0.05  -0.03     0.15  -0.04  -0.02
    35   1     0.11  -0.01  -0.00     0.10  -0.01  -0.01     0.13  -0.03  -0.01
    36   1    -0.15   0.08  -0.04    -0.14   0.08  -0.02    -0.15   0.08  -0.03
    37   1    -0.08   0.07  -0.00    -0.12   0.07  -0.01    -0.08   0.06  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.4770              1001.5054              1006.7972
 Red. masses --      1.2593                 1.2586                 1.2611
 Frc consts  --      0.7442                 0.7438                 0.7532
 IR Inten    --      6.2414                 6.3425                 0.0080
 RamAct Fr= 1--      0.1747                 0.1782                 1.2620
  Dep-P Fr= 1--      0.7300                 0.7462                 0.0779
  Dep-U Fr= 1--      0.8439                 0.8547                 0.1445
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0233
 Beta2  Fr= 1--      0.0246                 0.0254                 0.0304
 AlphaG Fr= 1--      0.0005                 0.0002                 0.2820
 Gamma2 Fr= 1--      1.8276                 1.8113                -1.6069
 Delta2 Fr= 1--     -0.1461                -0.2000                -0.2133
 Raman1 Fr= 1--       0.699                  0.713                  5.048
 ROA1   Fr= 1--     170.772                167.487               -161.085
 CID1   Fr= 1--     244.309                234.954                -31.910
 Raman2 Fr= 1--       0.295                  0.305                  0.365
 ROA2   Fr= 1--      45.031                 45.072                -36.858
 CID2   Fr= 1--     152.669                147.958               -101.050
 Raman3 Fr= 1--       0.590                  0.609                  0.729
 ROA3   Fr= 1--     170.772                167.487               -161.085
 CID3   Fr= 1--     289.484                274.907               -220.818
 RC180  Fr= 1--       0.688                  0.709                 -0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.05    -0.00  -0.01   0.00     0.04  -0.03  -0.04
     2   6     0.02  -0.06  -0.05     0.01   0.01   0.01    -0.01   0.05   0.04
     3   7    -0.01   0.01   0.02    -0.00   0.00  -0.01     0.00  -0.01  -0.01
     4  45    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.01  -0.02    -0.00   0.00  -0.01    -0.01   0.00   0.01
     6   7     0.00  -0.00   0.01     0.00   0.01  -0.01     0.00  -0.01   0.01
     7   6    -0.01   0.04  -0.03    -0.01  -0.06   0.04     0.00   0.05  -0.04
     8   6    -0.02  -0.03   0.02     0.04   0.04  -0.04    -0.03  -0.03   0.04
     9   7     0.00   0.01  -0.00    -0.00  -0.00   0.02     0.01   0.01  -0.01
    10   7    -0.00   0.00  -0.01    -0.01  -0.00  -0.01    -0.01   0.00  -0.01
    11   6     0.03  -0.02   0.03     0.06  -0.01   0.04     0.04  -0.01   0.03
    12   6    -0.03  -0.01  -0.02    -0.05  -0.03  -0.05    -0.04  -0.02  -0.04
    13   7     0.01  -0.00   0.00     0.00   0.00   0.02     0.01   0.00   0.01
    14   1     0.12  -0.10   0.00    -0.19   0.19   0.03     0.16  -0.16  -0.02
    15   1    -0.02   0.09  -0.06     0.03  -0.20   0.09    -0.02   0.16  -0.07
    16   1     0.17   0.01   0.03    -0.26   0.01  -0.01     0.23  -0.01   0.02
    17   1    -0.11  -0.08   0.05     0.14   0.10  -0.09    -0.13  -0.10   0.07
    18   1     0.05   0.16  -0.03     0.06   0.26  -0.01     0.05   0.21  -0.02
    19   1    -0.11  -0.08  -0.06    -0.14  -0.12  -0.10    -0.12  -0.09  -0.07
    20   1    -0.06   0.14  -0.00    -0.14   0.24   0.03    -0.10   0.19   0.02
    21   1     0.08  -0.04   0.06     0.19  -0.08   0.10     0.14  -0.06   0.07
    22   1     0.29   0.09   0.02    -0.02   0.01  -0.02    -0.22  -0.07  -0.02
    23   1    -0.20   0.08   0.11     0.03  -0.02   0.00     0.15  -0.06  -0.08
    24   1     0.16   0.26  -0.03    -0.01   0.01  -0.02    -0.12  -0.20   0.02
    25   1     0.02  -0.22  -0.11     0.01  -0.02   0.00    -0.02   0.16   0.08
    26   1    -0.15  -0.16  -0.04     0.00   0.01  -0.00     0.12   0.13   0.02
    27   1     0.24   0.23  -0.00    -0.01  -0.01  -0.00    -0.17  -0.16   0.01
    28   1    -0.20  -0.10   0.04     0.01   0.01  -0.00     0.16   0.08  -0.03
    29   1     0.28   0.17   0.00    -0.00   0.00  -0.00    -0.20  -0.12  -0.00
    30   1     0.04  -0.11   0.02     0.06  -0.19   0.03     0.05  -0.15   0.02
    31   1    -0.04   0.18  -0.00    -0.07   0.29   0.00    -0.05   0.21   0.00
    32   1    -0.00  -0.12  -0.02    -0.01  -0.20  -0.03    -0.01  -0.16  -0.02
    33   1    -0.00   0.17  -0.01    -0.01   0.30  -0.00    -0.01   0.22  -0.00
    34   1    -0.12   0.03   0.02     0.19  -0.04  -0.03    -0.17   0.03   0.02
    35   1     0.16  -0.05   0.00    -0.28   0.08  -0.00     0.22  -0.07   0.00
    36   1    -0.10   0.07  -0.02     0.16  -0.10   0.03    -0.14   0.10  -0.02
    37   1     0.16  -0.09   0.00    -0.25   0.13   0.00     0.20  -0.11  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1049.6630              1049.7303              1049.9257
 Red. masses --      3.1624                 3.1638                 3.1584
 Frc consts  --      2.0529                 2.0541                 2.0513
 IR Inten    --     31.9824                52.0744                55.1355
 RamAct Fr= 1--      1.5975                 1.1051                 1.0517
  Dep-P Fr= 1--      0.3721                 0.4954                 0.5187
  Dep-U Fr= 1--      0.5424                 0.6626                 0.6831
 Alpha2 Fr= 1--      0.0130                 0.0056                 0.0047
 Beta2  Fr= 1--      0.1444                 0.1220                 0.1197
 AlphaG Fr= 1--      0.0620                 0.0277                 0.0222
 Gamma2 Fr= 1--      0.0311                -0.3352                -0.3758
 Delta2 Fr= 1--     -0.9017                -1.3114                -1.3744
 Raman1 Fr= 1--       6.390                  4.420                  4.207
 ROA1   Fr= 1--     -25.871                -74.148                -80.053
 CID1   Fr= 1--      -4.049                -16.774                -19.030
 Raman2 Fr= 1--       1.733                  1.464                  1.437
 ROA2   Fr= 1--       7.960                  2.446                  1.977
 CID2   Fr= 1--       4.594                  1.670                  1.376
 Raman3 Fr= 1--       3.466                  2.929                  2.873
 ROA3   Fr= 1--     -25.871                -74.148                -80.053
 CID3   Fr= 1--      -7.465                -25.316                -27.860
 RC180  Fr= 1--       0.085                  0.325                  0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.03  -0.01   0.03     0.18  -0.07   0.18
     2   6     0.00  -0.01   0.01    -0.00   0.03  -0.03    -0.02   0.19  -0.18
     3   7     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.11  -0.07   0.07
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00   0.00    -0.02  -0.01  -0.01    -0.10  -0.09  -0.07
     6   7    -0.03   0.01   0.02     0.12  -0.04  -0.07    -0.02   0.01   0.01
     7   6     0.01  -0.04  -0.04    -0.03   0.18   0.17     0.00  -0.03  -0.03
     8   6     0.04   0.02   0.04    -0.15  -0.11  -0.18     0.03   0.02   0.03
     9   7    -0.03   0.01  -0.02     0.12  -0.06   0.07    -0.02   0.01  -0.01
    10   7     0.01  -0.13  -0.07     0.00  -0.03  -0.02    -0.00  -0.01  -0.00
    11   6    -0.17   0.08   0.18    -0.04   0.02   0.04    -0.01   0.00   0.01
    12   6     0.14   0.12  -0.18     0.04   0.03  -0.04     0.01   0.00  -0.00
    13   7     0.02  -0.13   0.07     0.01  -0.03   0.02     0.00  -0.00   0.00
    14   1     0.08   0.02   0.06    -0.27  -0.09  -0.20     0.05   0.02   0.04
    15   1     0.07   0.07   0.05    -0.29  -0.29  -0.21     0.04   0.04   0.04
    16   1     0.03  -0.05  -0.04    -0.13   0.26   0.20     0.01  -0.03  -0.03
    17   1    -0.00  -0.11  -0.05     0.00   0.41   0.21     0.00  -0.07  -0.04
    18   1    -0.22   0.19   0.20    -0.06   0.05   0.06     0.00  -0.00  -0.00
    19   1    -0.40   0.11   0.21    -0.09   0.03   0.05    -0.02   0.00   0.01
    20   1     0.16   0.24  -0.20     0.04   0.05  -0.04     0.01   0.02  -0.01
    21   1     0.36   0.20  -0.21     0.09   0.05  -0.06     0.00   0.00  -0.01
    22   1    -0.00  -0.01   0.01     0.01   0.06  -0.04     0.06   0.29  -0.21
    23   1     0.01  -0.04   0.02    -0.02   0.06  -0.03    -0.11   0.41  -0.22
    24   1    -0.03   0.00  -0.02     0.03  -0.00   0.02     0.30  -0.02   0.21
    25   1    -0.02   0.02  -0.01     0.06  -0.04   0.03     0.36  -0.21   0.22
    26   1    -0.00  -0.01   0.00     0.02   0.02  -0.01     0.11   0.13  -0.07
    27   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01    -0.04  -0.00  -0.08
    28   1    -0.01  -0.01  -0.00     0.02   0.01   0.01     0.15   0.07   0.07
    29   1     0.01   0.00  -0.00     0.01   0.00   0.01    -0.02  -0.04   0.08
    30   1    -0.05   0.16   0.06    -0.01   0.05   0.02    -0.00   0.00   0.00
    31   1    -0.02  -0.04   0.08    -0.01  -0.02   0.03    -0.01   0.01   0.00
    32   1     0.01   0.17  -0.06     0.00   0.04  -0.02    -0.00   0.01  -0.00
    33   1     0.03  -0.04  -0.08     0.01   0.00  -0.02     0.00  -0.02  -0.01
    34   1     0.04  -0.01   0.01    -0.16   0.03  -0.06     0.03  -0.01   0.01
    35   1    -0.02   0.01   0.02     0.02  -0.04  -0.08    -0.02   0.01   0.02
    36   1     0.03  -0.02  -0.02    -0.14   0.09   0.06     0.02  -0.01  -0.01
    37   1     0.00  -0.00  -0.01     0.05   0.01   0.08     0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.3346              1114.5642              1123.4124
 Red. masses --      1.0233                 1.0232                 1.0327
 Frc consts  --      0.7487                 0.7489                 0.7679
 IR Inten    --      1.3660                 1.4127                 0.2303
 RamAct Fr= 1--      0.9307                 0.8766                 0.0084
  Dep-P Fr= 1--      0.7497                 0.7486                 0.5652
  Dep-U Fr= 1--      0.8569                 0.8562                 0.7222
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1329                 0.1251                 0.0010
 AlphaG Fr= 1--      0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--      1.4891                 1.4378                -0.0021
 Delta2 Fr= 1--      0.3199                 0.2836                 0.0004
 Raman1 Fr= 1--       3.723                  3.506                  0.033
 ROA1   Fr= 1--     153.185                147.107                 -0.187
 CID1   Fr= 1--      41.148                 41.954                 -5.589
 Raman2 Fr= 1--       1.595                  1.501                  0.012
 ROA2   Fr= 1--      33.178                 32.239                 -0.053
 CID2   Fr= 1--      20.800                 21.478                 -4.363
 Raman3 Fr= 1--       3.190                  3.002                  0.024
 ROA3   Fr= 1--     153.185                147.107                 -0.187
 CID3   Fr= 1--      48.018                 49.001                 -7.739
 RC180  Fr= 1--       0.714                  0.712                  0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00  -0.00
     3   7     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00  -0.00    -0.01  -0.01  -0.01     0.01  -0.00   0.01
     6   7     0.01  -0.00  -0.00    -0.01   0.01   0.01    -0.00   0.01   0.01
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.02  -0.00   0.01     0.01   0.01   0.01
    10   7    -0.01   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    13   7    -0.00  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.01
    14   1     0.06   0.03   0.05    -0.24  -0.08  -0.18    -0.19  -0.06  -0.14
    15   1    -0.03  -0.01  -0.03     0.13   0.03   0.12     0.09  -0.00   0.09
    16   1    -0.04   0.06   0.05     0.11  -0.23  -0.19     0.09  -0.18  -0.14
    17   1     0.02  -0.03  -0.03    -0.07   0.12   0.12    -0.07   0.06   0.09
    18   1     0.20  -0.17  -0.19    -0.05   0.05   0.05     0.14  -0.13  -0.13
    19   1    -0.09   0.10   0.12     0.02  -0.03  -0.04    -0.04   0.08   0.08
    20   1     0.15   0.22  -0.19    -0.05  -0.05   0.05     0.10   0.16  -0.13
    21   1    -0.07  -0.12   0.12     0.02   0.03  -0.03    -0.02  -0.09   0.09
    22   1    -0.04  -0.19   0.13    -0.03  -0.19   0.14     0.04   0.19  -0.14
    23   1     0.03   0.10  -0.09     0.02   0.09  -0.09    -0.05  -0.08   0.09
    24   1     0.19  -0.02   0.14     0.19  -0.01   0.13    -0.20   0.01  -0.14
    25   1    -0.10   0.00  -0.09    -0.10  -0.01  -0.09     0.09   0.03   0.09
    26   1    -0.08  -0.09  -0.06    -0.07  -0.08  -0.06     0.10   0.11   0.07
    27   1     0.21   0.17   0.02     0.22   0.18   0.02    -0.20  -0.16  -0.02
    28   1     0.10   0.05  -0.06     0.11   0.05  -0.06    -0.14  -0.07   0.07
    29   1    -0.23  -0.16   0.02    -0.22  -0.15   0.02     0.20   0.15  -0.02
    30   1     0.05  -0.15   0.08    -0.02   0.05  -0.02     0.04  -0.14   0.07
    31   1    -0.06   0.38  -0.03     0.02  -0.10   0.01    -0.04   0.25  -0.02
    32   1     0.01   0.16   0.08    -0.00  -0.04  -0.02     0.01   0.15   0.07
    33   1     0.03  -0.38  -0.03    -0.01   0.12   0.01     0.03  -0.25  -0.02
    34   1     0.03  -0.00  -0.02    -0.16   0.03   0.08    -0.15   0.04   0.07
    35   1    -0.10   0.04   0.00     0.35  -0.13  -0.03     0.24  -0.09  -0.02
    36   1    -0.04   0.03  -0.02     0.13  -0.09   0.08     0.13  -0.08   0.07
    37   1     0.08  -0.04   0.01    -0.34   0.16  -0.03    -0.24   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.3853              1171.8478              1187.6953
 Red. masses --      1.0739                 1.0737                 1.0527
 Frc consts  --      0.8682                 0.8687                 0.8749
 IR Inten    --     69.9888                70.5754                 0.0119
 RamAct Fr= 1--      8.6444                 9.0404                14.7477
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3237
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4891
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1407
 Beta2  Fr= 1--      1.2349                 1.2915                 1.2022
 AlphaG Fr= 1--      0.0000                 0.0000                 0.4358
 Gamma2 Fr= 1--     -5.3389                -5.5491                -0.0090
 Delta2 Fr= 1--      3.0126                 3.0248                -6.9904
 Raman1 Fr= 1--      34.578                 36.162                 58.991
 ROA1   Fr= 1--    -416.131               -435.922               -224.557
 CID1   Fr= 1--     -12.035                -12.055                 -3.807
 Raman2 Fr= 1--      14.819                 15.498                 14.426
 ROA2   Fr= 1--    -152.234               -157.378                 55.707
 CID2   Fr= 1--     -10.273                -10.155                  3.862
 Raman3 Fr= 1--      29.638                 30.995                 28.852
 ROA3   Fr= 1--    -416.131               -435.922               -224.557
 CID3   Fr= 1--     -14.040                -14.064                 -7.783
 RC180  Fr= 1--       0.714                  0.714                 -0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.04  -0.01  -0.00     0.02   0.00  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00  -0.00   0.00    -0.02  -0.04   0.00     0.01   0.02   0.00
     6   7     0.03   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
     9   7     0.02  -0.02  -0.00    -0.01   0.02   0.00    -0.01   0.02  -0.00
    10   7    -0.01  -0.04   0.00    -0.01  -0.02   0.00    -0.01  -0.02  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    13   7     0.02  -0.03  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    14   1    -0.01  -0.00  -0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    15   1     0.19   0.07   0.17    -0.15  -0.07  -0.12    -0.18  -0.05  -0.17
    16   1    -0.02   0.02   0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    17   1     0.08  -0.21  -0.17    -0.06   0.13   0.12    -0.09   0.17   0.17
    18   1    -0.01   0.02   0.01    -0.00  -0.00  -0.00    -0.01   0.02   0.01
    19   1     0.19  -0.15  -0.19     0.08  -0.07  -0.09     0.14  -0.13  -0.17
    20   1     0.01   0.01  -0.01     0.01   0.02  -0.01     0.01   0.03  -0.01
    21   1    -0.14  -0.19   0.19    -0.08  -0.09   0.09    -0.10  -0.16   0.16
    22   1     0.01   0.01  -0.01     0.01   0.02  -0.01    -0.01  -0.02   0.01
    23   1     0.00  -0.03   0.02    -0.04  -0.26   0.21     0.05   0.19  -0.17
    24   1    -0.01  -0.00  -0.00     0.02   0.00   0.01    -0.03  -0.01  -0.01
    25   1    -0.01  -0.01  -0.02    -0.26   0.03  -0.21     0.20  -0.01   0.17
    26   1     0.03   0.02  -0.01     0.29   0.27  -0.01    -0.20  -0.20  -0.01
    27   1     0.00   0.01  -0.00     0.11   0.21  -0.04    -0.07  -0.14   0.03
    28   1     0.03   0.01  -0.01     0.34   0.21   0.01    -0.24  -0.14   0.01
    29   1     0.03   0.01   0.00     0.23   0.05   0.04    -0.15  -0.03  -0.03
    30   1    -0.08   0.35   0.01    -0.04   0.17  -0.01    -0.07   0.26  -0.01
    31   1    -0.11   0.18   0.04    -0.06   0.10   0.02    -0.08   0.12   0.03
    32   1    -0.01   0.36  -0.00    -0.01   0.18  -0.01    -0.00   0.27   0.01
    33   1     0.06   0.21  -0.04     0.03   0.09  -0.02     0.05   0.14  -0.03
    34   1    -0.31   0.09  -0.00     0.22  -0.07   0.01     0.27  -0.08  -0.01
    35   1    -0.20  -0.00  -0.04     0.13   0.01   0.02     0.15   0.01   0.03
    36   1    -0.29   0.15   0.01     0.20  -0.11   0.00     0.23  -0.13   0.01
    37   1    -0.13   0.14   0.03     0.10  -0.10  -0.02     0.10  -0.11  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1222.9506              1223.6111              1247.0553
 Red. masses --      1.2501                 1.2490                 1.2494
 Frc consts  --      1.1015                 1.1018                 1.1447
 IR Inten    --     10.8961                11.2000                13.2719
 RamAct Fr= 1--      8.6844                 8.4526                 0.0131
  Dep-P Fr= 1--      0.7495                 0.7500                 0.3426
  Dep-U Fr= 1--      0.8568                 0.8571                 0.5103
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      1.2402                 1.2075                 0.0011
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0001
 Gamma2 Fr= 1--      3.8552                 3.9733                -0.0009
 Delta2 Fr= 1--      0.4064                 0.5687                -0.0042
 Raman1 Fr= 1--      34.738                 33.811                  0.052
 ROA1   Fr= 1--     383.104                399.636                 -0.223
 CID1   Fr= 1--      11.028                 11.820                 -4.257
 Raman2 Fr= 1--      14.882                 14.490                  0.013
 ROA2   Fr= 1--      89.274                 90.809                  0.011
 CID2   Fr= 1--       5.999                  6.267                  0.822
 Raman3 Fr= 1--      29.765                 28.980                  0.027
 ROA3   Fr= 1--     383.104                399.636                 -0.223
 CID3   Fr= 1--      12.871                 13.790                 -8.342
 RC180  Fr= 1--       0.714                  0.714                  0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.02  -0.04   0.01     0.02   0.03  -0.00
     2   6     0.00  -0.01  -0.01     0.04   0.01   0.01    -0.03  -0.01  -0.00
     3   7     0.00   0.00   0.01    -0.06  -0.01  -0.01     0.05   0.00   0.00
     4  45    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00     0.02   0.06  -0.02    -0.02  -0.05   0.00
     6   7    -0.06  -0.01  -0.01     0.03   0.00   0.01     0.05   0.01   0.00
     7   6     0.04   0.00   0.01    -0.02   0.01  -0.01    -0.03  -0.00  -0.00
     8   6    -0.03   0.02   0.01     0.01  -0.02   0.00     0.02  -0.02  -0.00
     9   7     0.04  -0.04  -0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    10   7    -0.02  -0.05   0.01    -0.01  -0.03   0.01    -0.02  -0.04   0.00
    11   6     0.01   0.04  -0.00     0.00   0.02  -0.01     0.01   0.03  -0.00
    12   6     0.01  -0.03  -0.01     0.02  -0.02   0.00     0.02  -0.03  -0.00
    13   7    -0.03   0.04   0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    14   1     0.04  -0.00   0.01    -0.02  -0.01  -0.00     0.03  -0.00   0.03
    15   1     0.05   0.10   0.06    -0.04  -0.03  -0.05    -0.07  -0.09  -0.07
    16   1    -0.02   0.04   0.01     0.02  -0.01  -0.00    -0.02   0.01   0.02
    17   1     0.02   0.10   0.07    -0.03  -0.06  -0.01    -0.02  -0.11  -0.06
    18   1     0.03  -0.03  -0.01     0.01  -0.03  -0.00    -0.01   0.03   0.02
    19   1     0.09  -0.01  -0.07     0.07   0.02  -0.02     0.11  -0.02  -0.06
    20   1     0.01   0.04  -0.01     0.02   0.02  -0.01    -0.00  -0.03   0.03
    21   1     0.11   0.02  -0.05     0.05   0.03  -0.06     0.11   0.04  -0.06
    22   1     0.01  -0.00   0.00    -0.02  -0.05   0.01    -0.02  -0.02   0.02
    23   1    -0.03   0.00   0.02     0.06  -0.10   0.07    -0.04   0.11  -0.07
    24   1    -0.01   0.01  -0.00     0.05   0.01   0.01     0.02   0.01   0.02
    25   1    -0.01  -0.02  -0.02     0.08  -0.09   0.07    -0.09   0.07  -0.07
    26   1     0.02   0.02   0.03    -0.37  -0.34  -0.00     0.25   0.23   0.02
    27   1    -0.01   0.00  -0.01    -0.06  -0.20   0.06     0.06   0.17  -0.05
    28   1    -0.02  -0.02  -0.03     0.42   0.27  -0.01    -0.29  -0.18   0.02
    29   1    -0.02  -0.01   0.00     0.21   0.00   0.06    -0.18  -0.01  -0.05
    30   1     0.09  -0.42  -0.01     0.06  -0.27   0.03     0.07  -0.32   0.02
    31   1     0.12  -0.14  -0.05     0.08  -0.08  -0.04     0.11  -0.13  -0.05
    32   1    -0.02   0.42   0.02    -0.02   0.28  -0.02    -0.01   0.33   0.02
    33   1     0.09   0.15  -0.05     0.05   0.11  -0.03     0.07   0.16  -0.05
    34   1     0.42  -0.13  -0.02    -0.22   0.07  -0.02    -0.31   0.10   0.02
    35   1     0.18   0.05   0.06    -0.11  -0.02  -0.02    -0.17  -0.03  -0.05
    36   1    -0.40   0.21   0.01     0.21  -0.11   0.03     0.29  -0.16   0.02
    37   1    -0.10   0.16   0.05     0.04  -0.08  -0.03     0.10  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.4991              1291.9223              1299.8811
 Red. masses --      1.3917                 1.3912                 1.3676
 Frc consts  --      1.3677                 1.3681                 1.3615
 IR Inten    --      0.9562                 0.9315                 0.0001
 RamAct Fr= 1--      0.3998                 0.3870                 8.2365
  Dep-P Fr= 1--      0.7499                 0.7496                 0.2675
  Dep-U Fr= 1--      0.8571                 0.8569                 0.4221
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0929
 Beta2  Fr= 1--      0.0571                 0.0553                 0.5795
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0727
 Gamma2 Fr= 1--     -0.3247                -0.3312                -3.4187
 Delta2 Fr= 1--     -0.2351                -0.3385                 0.3756
 Raman1 Fr= 1--       1.599                  1.548                 32.946
 ROA1   Fr= 1--     -38.696                -42.632               -316.178
 CID1   Fr= 1--     -24.195                -27.540                 -9.597
 Raman2 Fr= 1--       0.685                  0.663                  6.954
 ROA2   Fr= 1--      -5.912                 -5.242                -85.054
 CID2   Fr= 1--      -8.625                 -7.904                -12.231
 Raman3 Fr= 1--       1.371                  1.326                 13.908
 ROA3   Fr= 1--     -38.696                -42.632               -316.178
 CID3   Fr= 1--     -28.229                -32.140                -22.734
 RC180  Fr= 1--       0.714                  0.714                 -0.156
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.04  -0.05  -0.07    -0.03   0.04   0.05
     2   6    -0.01   0.02   0.02    -0.03   0.05   0.07     0.03  -0.04  -0.05
     3   7     0.01  -0.01  -0.01    -0.00  -0.03  -0.02    -0.00   0.02   0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01  -0.00   0.01    -0.03   0.01   0.02     0.02  -0.01  -0.01
     6   7     0.00  -0.02   0.01    -0.01   0.03  -0.01    -0.00   0.02  -0.01
     7   6     0.01   0.04  -0.05    -0.01  -0.05   0.06    -0.02  -0.05   0.05
     8   6    -0.02  -0.04   0.05     0.02   0.05  -0.06     0.02   0.05  -0.05
     9   7     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.02  -0.01   0.01
    10   7     0.03  -0.01   0.02     0.00  -0.01   0.00     0.02  -0.01   0.01
    11   6    -0.06  -0.00  -0.07    -0.01   0.00  -0.01    -0.05  -0.00  -0.05
    12   6     0.06   0.01   0.07     0.01   0.00   0.01     0.05   0.01   0.05
    13   7    -0.03  -0.02  -0.02    -0.01   0.00  -0.00    -0.02  -0.01  -0.01
    14   1    -0.04  -0.17  -0.10     0.04   0.21   0.12     0.08   0.20   0.13
    15   1    -0.02   0.07  -0.02     0.03  -0.07   0.02    -0.02  -0.08  -0.02
    16   1     0.10   0.15   0.10    -0.11  -0.18  -0.12    -0.08  -0.19  -0.13
    17   1    -0.06  -0.02   0.02     0.07   0.04  -0.02     0.04   0.07   0.02
    18   1    -0.26  -0.08   0.15    -0.05  -0.01   0.03    -0.20  -0.03   0.13
    19   1     0.07   0.08   0.03     0.03   0.02   0.00     0.08   0.02  -0.01
    20   1     0.27  -0.01  -0.16     0.05  -0.01  -0.03     0.21   0.02  -0.13
    21   1    -0.09   0.06  -0.03    -0.00   0.01  -0.01    -0.08   0.00   0.01
    22   1    -0.07   0.06  -0.05    -0.19   0.18  -0.15     0.13  -0.16   0.13
    23   1     0.03   0.00  -0.01     0.10  -0.02  -0.03    -0.06   0.06  -0.01
    24   1     0.05  -0.08   0.05     0.12  -0.23   0.15    -0.12   0.17  -0.13
    25   1    -0.00   0.04   0.01     0.01   0.10   0.03     0.04  -0.07   0.01
    26   1    -0.02  -0.03  -0.04    -0.15  -0.15  -0.11     0.10   0.11   0.09
    27   1     0.11   0.09   0.02     0.28   0.20   0.08    -0.20  -0.14  -0.05
    28   1    -0.09  -0.05   0.04    -0.16  -0.09   0.11     0.13   0.07  -0.09
    29   1     0.08   0.07  -0.03     0.28   0.22  -0.08    -0.19  -0.16   0.05
    30   1     0.06  -0.20   0.12     0.02  -0.07   0.02     0.04  -0.14   0.09
    31   1    -0.04   0.37  -0.08    -0.00   0.05  -0.02    -0.02   0.24  -0.05
    32   1    -0.01  -0.21  -0.12    -0.00  -0.01  -0.02    -0.00  -0.15  -0.09
    33   1    -0.06   0.36   0.08    -0.01   0.09   0.01    -0.04   0.24   0.05
    34   1     0.16  -0.04  -0.08    -0.13   0.03   0.09    -0.15   0.04   0.09
    35   1    -0.21   0.10   0.05     0.27  -0.12  -0.06     0.23  -0.10  -0.05
    36   1     0.10  -0.06   0.08    -0.16   0.10  -0.09    -0.13   0.08  -0.09
    37   1    -0.24   0.10  -0.05     0.26  -0.10   0.06     0.23  -0.09   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1330.3753              1330.5205              1343.8680
 Red. masses --      1.1803                 1.1803                 1.1821
 Frc consts  --      1.2309                 1.2311                 1.2578
 IR Inten    --     23.9770                24.2175                 0.0058
 RamAct Fr= 1--      1.0841                 1.0705                 5.7886
  Dep-P Fr= 1--      0.7478                 0.7497                 0.2174
  Dep-U Fr= 1--      0.8557                 0.8569                 0.3572
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0750
 Beta2  Fr= 1--      0.1546                 0.1529                 0.3446
 AlphaG Fr= 1--      0.0001                 0.0000                -0.0372
 Gamma2 Fr= 1--      4.8804                 4.9382                -0.5638
 Delta2 Fr= 1--      2.5159                 2.5599                 0.9485
 Raman1 Fr= 1--       4.336                  4.282                 23.155
 ROA1   Fr= 1--     549.028                555.982                -23.772
 CID1   Fr= 1--     126.612                129.839                 -1.027
 Raman2 Fr= 1--       1.855                  1.835                  4.135
 ROA2   Fr= 1--      97.002                 98.038                -21.120
 CID2   Fr= 1--      52.285                 53.433                 -5.107
 Raman3 Fr= 1--       3.711                  3.670                  8.270
 ROA3   Fr= 1--     549.028                555.982                -23.772
 CID3   Fr= 1--     147.965                151.513                 -2.874
 RC180  Fr= 1--       0.711                  0.714                 -0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.01   0.03  -0.02     0.01  -0.02   0.02
     2   6     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.02   0.01  -0.02
     3   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.03     0.03   0.02   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.02  -0.02   0.02    -0.02  -0.03   0.03     0.02   0.02  -0.02
     6   7     0.02  -0.00   0.01    -0.04   0.01  -0.03    -0.03   0.01  -0.02
     7   6    -0.01  -0.02  -0.01     0.02   0.03   0.02     0.01   0.02   0.02
     8   6     0.00   0.02   0.01    -0.01  -0.03  -0.02    -0.00  -0.02  -0.02
     9   7     0.02  -0.01  -0.02    -0.03   0.02   0.03    -0.03   0.01   0.02
    10   7    -0.00  -0.04   0.03     0.00  -0.00   0.00     0.00  -0.03   0.02
    11   6     0.04   0.01  -0.02     0.00   0.00  -0.00     0.02   0.01  -0.02
    12   6    -0.04   0.00   0.02    -0.00  -0.00  -0.00    -0.02   0.00   0.02
    13   7     0.01  -0.04  -0.03     0.00   0.00   0.00     0.01  -0.03  -0.02
    14   1     0.14   0.06   0.11    -0.18  -0.10  -0.16    -0.15  -0.06  -0.12
    15   1    -0.17  -0.03  -0.14     0.24   0.03   0.21     0.19   0.02   0.16
    16   1     0.02  -0.11  -0.09    -0.07   0.21   0.17    -0.07   0.15   0.12
    17   1    -0.08   0.10   0.12     0.15  -0.21  -0.22     0.12  -0.15  -0.16
    18   1     0.22  -0.14  -0.19     0.01  -0.02  -0.01     0.12  -0.11  -0.12
    19   1    -0.18   0.23   0.25    -0.02   0.02   0.02    -0.11   0.15   0.16
    20   1    -0.18  -0.19   0.19    -0.00   0.02  -0.00    -0.09  -0.13   0.12
    21   1     0.12   0.27  -0.25    -0.01  -0.01   0.01     0.07   0.17  -0.16
    22   1     0.01  -0.11   0.08    -0.02  -0.23   0.17     0.03   0.16  -0.12
    23   1     0.05   0.11  -0.11     0.10   0.25  -0.23    -0.08  -0.18   0.16
    24   1    -0.14   0.02  -0.10    -0.21   0.06  -0.17     0.16  -0.02   0.12
    25   1     0.16   0.01   0.13     0.25   0.03   0.22    -0.19  -0.03  -0.16
    26   1     0.06   0.05  -0.03     0.10   0.08  -0.03    -0.09  -0.07   0.04
    27   1     0.07   0.10   0.01     0.11   0.15   0.01    -0.13  -0.17  -0.01
    28   1     0.05   0.03   0.00     0.11   0.08   0.04    -0.09  -0.06  -0.04
    29   1     0.08   0.03  -0.01     0.19   0.07  -0.01    -0.21  -0.08   0.01
    30   1    -0.02   0.15   0.04    -0.00  -0.01  -0.01    -0.02   0.11   0.04
    31   1    -0.10   0.20  -0.01     0.01  -0.01   0.00    -0.09   0.20  -0.01
    32   1    -0.01   0.14  -0.04    -0.00   0.01  -0.02    -0.01   0.11  -0.04
    33   1     0.04   0.22   0.01     0.01   0.02   0.00     0.03   0.22   0.01
    34   1    -0.06   0.02  -0.01     0.12  -0.05   0.04     0.10  -0.04   0.04
    35   1    -0.10   0.01   0.01     0.20  -0.02  -0.01     0.22  -0.03  -0.01
    36   1    -0.08   0.03   0.03     0.11  -0.05  -0.03     0.10  -0.05  -0.04
    37   1    -0.10   0.09  -0.01     0.14  -0.12   0.01     0.17  -0.14   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.4951              1347.6581              1352.1210
 Red. masses --      1.1874                 1.1875                 1.2062
 Frc consts  --      1.2702                 1.2707                 1.2993
 IR Inten    --     11.8610                12.0372                 2.5903
 RamAct Fr= 1--     14.7647                14.9773                 0.0012
  Dep-P Fr= 1--      0.7499                 0.7500                 0.6699
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8024
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      2.1090                 2.1396                 0.0002
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--     -9.7688                -9.2911                -0.0005
 Delta2 Fr= 1--     -0.4415                -0.1762                -0.0008
 Raman1 Fr= 1--      59.059                 59.909                  0.005
 ROA1   Fr= 1--    -951.933               -897.589                 -0.071
 CID1   Fr= 1--     -16.118                -14.982                -14.692
 Raman2 Fr= 1--      25.308                 25.675                  0.002
 ROA2   Fr= 1--    -230.919               -221.578                 -0.006
 CID2   Fr= 1--      -9.124                 -8.630                 -2.945
 Raman3 Fr= 1--      50.617                 51.350                  0.004
 ROA3   Fr= 1--    -951.933               -897.589                 -0.071
 CID3   Fr= 1--     -18.807                -17.480                -18.312
 RC180  Fr= 1--       0.714                  0.714                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.01   0.02   0.04    -0.01  -0.01  -0.04
     2   6    -0.02  -0.00   0.03    -0.02  -0.01   0.04     0.01   0.01  -0.04
     3   7    -0.01  -0.02  -0.02    -0.01  -0.02  -0.03     0.01   0.02   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7     0.02   0.00  -0.02     0.02   0.00  -0.02    -0.02  -0.01   0.02
     6   7    -0.00   0.01  -0.01     0.02  -0.02   0.03     0.02  -0.02   0.02
     7   6    -0.01  -0.00   0.01     0.02  -0.00  -0.05     0.02  -0.01  -0.04
     8   6     0.01  -0.00   0.02    -0.01   0.02  -0.04    -0.01   0.01  -0.04
     9   7     0.01   0.00  -0.01    -0.03  -0.01   0.03    -0.03   0.00   0.02
    10   7     0.02  -0.02   0.03    -0.00   0.00  -0.01     0.01  -0.02   0.02
    11   6    -0.01  -0.02  -0.05     0.00   0.01   0.01     0.00  -0.02  -0.04
    12   6    -0.01   0.02  -0.05    -0.00  -0.00   0.01    -0.00   0.02  -0.04
    13   7     0.01   0.03   0.03    -0.00  -0.01  -0.01     0.00   0.03   0.02
    14   1     0.08  -0.00   0.05    -0.17   0.03  -0.10    -0.11   0.03  -0.06
    15   1    -0.11  -0.04  -0.09     0.28   0.10   0.23     0.23   0.08   0.19
    16   1    -0.04   0.02   0.02     0.15  -0.11  -0.11     0.10  -0.06  -0.06
    17   1     0.04  -0.08  -0.07    -0.13   0.28   0.24    -0.10   0.22   0.19
    18   1     0.07  -0.18  -0.11     0.00   0.02   0.01     0.03  -0.10  -0.06
    19   1    -0.24   0.21   0.25     0.04  -0.03  -0.04    -0.18   0.15   0.18
    20   1     0.02   0.19  -0.11    -0.02  -0.06   0.04     0.00   0.11  -0.06
    21   1    -0.18  -0.26   0.25     0.05   0.07  -0.07    -0.14  -0.19   0.18
    22   1    -0.08  -0.08   0.06    -0.09  -0.13   0.09     0.08   0.08  -0.06
    23   1     0.03   0.20  -0.15     0.05   0.25  -0.20    -0.04  -0.23   0.18
    24   1     0.13   0.05   0.08     0.12   0.06   0.08    -0.09  -0.05  -0.06
    25   1    -0.22   0.02  -0.18    -0.23   0.02  -0.18     0.24  -0.02   0.18
    26   1     0.01   0.02   0.06     0.03   0.04   0.07     0.01  -0.01  -0.07
    27   1    -0.16  -0.15  -0.04    -0.17  -0.15  -0.05     0.16   0.16   0.03
    28   1    -0.05  -0.02   0.06    -0.03  -0.01   0.07     0.01  -0.01  -0.07
    29   1     0.16   0.10  -0.04     0.21   0.13  -0.05    -0.20  -0.11   0.03
    30   1    -0.02   0.06  -0.09     0.00   0.01   0.02    -0.01  -0.00  -0.07
    31   1     0.06  -0.29   0.06    -0.02   0.08  -0.01     0.06  -0.22   0.03
    32   1    -0.01  -0.05  -0.09     0.00   0.03   0.01    -0.01  -0.00  -0.07
    33   1    -0.01   0.30   0.06     0.01  -0.04  -0.01     0.01   0.22   0.03
    34   1    -0.03   0.01   0.03     0.05  -0.00  -0.08     0.01   0.01  -0.07
    35   1     0.07  -0.03  -0.02    -0.28   0.09   0.06    -0.23   0.06   0.03
    36   1    -0.00  -0.00   0.03    -0.05   0.04  -0.08     0.00   0.01  -0.07
    37   1    -0.10   0.06  -0.02     0.25  -0.13   0.06     0.20  -0.12   0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5914              1404.6565              1408.2922
 Red. masses --      1.2727                 1.2726                 1.2568
 Frc consts  --      1.4793                 1.4794                 1.4686
 IR Inten    --      0.0667                 0.0785                 3.1039
 RamAct Fr= 1--      3.2858                 3.2274                 0.0025
  Dep-P Fr= 1--      0.7500                 0.7499                 0.2696
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4247
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4694                 0.4610                 0.0002
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      3.3275                 3.1260                -0.0029
 Delta2 Fr= 1--      1.8240                 1.6881                -0.0009
 Raman1 Fr= 1--      13.143                 12.910                  0.010
 ROA1   Fr= 1--     377.811                354.112                 -0.310
 CID1   Fr= 1--      28.746                 27.430                -31.347
 Raman2 Fr= 1--       5.633                  5.532                  0.002
 ROA2   Fr= 1--      65.268                 61.519                 -0.063
 CID2   Fr= 1--      11.587                 11.120                -29.937
 Raman3 Fr= 1--      11.265                 11.064                  0.004
 ROA3   Fr= 1--     377.811                354.112                 -0.310
 CID3   Fr= 1--      33.538                 32.005                -73.803
 RC180  Fr= 1--       0.714                  0.714                 -0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.08   0.02  -0.03    -0.05   0.01  -0.02
     2   6    -0.00   0.01  -0.00     0.00   0.08  -0.03    -0.00   0.06  -0.02
     3   7     0.00  -0.00  -0.00     0.02  -0.02  -0.01     0.01  -0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.01  -0.03  -0.01     0.01  -0.02  -0.01
     6   7     0.01   0.02  -0.01    -0.01  -0.01   0.01     0.01   0.02  -0.01
     7   6     0.02  -0.06  -0.02    -0.01   0.05   0.02     0.01  -0.05  -0.02
     8   6    -0.05  -0.03  -0.02     0.04   0.03   0.02    -0.05  -0.03  -0.02
     9   7     0.00   0.02  -0.01    -0.00  -0.02   0.00     0.00   0.02  -0.01
    10   7     0.02   0.01   0.01     0.01   0.00   0.00    -0.02  -0.01  -0.01
    11   6    -0.06   0.04   0.03    -0.02   0.02   0.01     0.05  -0.03  -0.02
    12   6    -0.05  -0.05   0.02    -0.02  -0.02   0.01     0.04   0.04  -0.02
    13   7     0.02  -0.00   0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    14   1     0.25   0.06   0.20    -0.20  -0.05  -0.16     0.23   0.05   0.19
    15   1     0.17   0.11   0.15    -0.14  -0.09  -0.11     0.14   0.09   0.12
    16   1    -0.13   0.22   0.21     0.11  -0.18  -0.16    -0.13   0.21   0.19
    17   1    -0.04   0.21   0.14     0.04  -0.16  -0.12    -0.03   0.16   0.12
    18   1     0.22  -0.22  -0.24     0.09  -0.09  -0.10    -0.16   0.18   0.19
    19   1     0.22  -0.11  -0.17     0.08  -0.05  -0.07    -0.15   0.07   0.12
    20   1     0.15   0.27  -0.24     0.06   0.10  -0.10    -0.11  -0.21   0.19
    21   1     0.18   0.16  -0.17     0.08   0.07  -0.07    -0.12  -0.11   0.12
    22   1    -0.01  -0.04   0.04    -0.09  -0.32   0.26    -0.07  -0.23   0.19
    23   1     0.00  -0.04   0.03     0.01  -0.26   0.18     0.01  -0.17   0.12
    24   1     0.05   0.00   0.04     0.33  -0.00   0.26     0.24   0.01   0.19
    25   1     0.03  -0.01   0.03     0.25  -0.08   0.18     0.16  -0.05   0.12
    26   1     0.01   0.01   0.01     0.10   0.09   0.05     0.06   0.06   0.05
    27   1    -0.01  -0.01  -0.01    -0.12  -0.07  -0.05    -0.11  -0.08  -0.03
    28   1    -0.02  -0.01   0.01    -0.12  -0.07   0.05    -0.07  -0.04   0.05
    29   1     0.01   0.02  -0.01     0.10   0.09  -0.05     0.11   0.08  -0.03
    30   1    -0.03   0.12  -0.05    -0.01   0.05  -0.02     0.02  -0.08   0.05
    31   1     0.00  -0.12   0.04    -0.00  -0.05   0.02    -0.02   0.13  -0.03
    32   1     0.01  -0.13  -0.05     0.00  -0.05  -0.02    -0.00   0.09   0.05
    33   1    -0.03   0.12   0.05    -0.01   0.05   0.02     0.02  -0.13  -0.03
    34   1    -0.10   0.03   0.04     0.08  -0.03  -0.03    -0.08   0.02   0.05
    35   1     0.09  -0.05  -0.04    -0.07   0.04   0.03     0.12  -0.05  -0.03
    36   1     0.10  -0.05   0.04    -0.08   0.04  -0.03     0.07  -0.04   0.05
    37   1    -0.10   0.03  -0.04     0.08  -0.02   0.03    -0.12   0.05  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.3422              1442.3721              1446.6146
 Red. masses --      1.4490                 1.4494                 1.4617
 Frc consts  --      1.7760                 1.7766                 1.8023
 IR Inten    --      3.2904                 3.2339                 0.0010
 RamAct Fr= 1--      0.4448                 0.3946                 0.7539
  Dep-P Fr= 1--      0.7498                 0.7494                 0.7215
  Dep-U Fr= 1--      0.8570                 0.8567                 0.8383
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0004
 Beta2  Fr= 1--      0.0635                 0.0564                 0.1053
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0143
 Gamma2 Fr= 1--     -1.7871                -1.7442                 0.0095
 Delta2 Fr= 1--     -1.2885                -1.2737                -0.2896
 Raman1 Fr= 1--       1.779                  1.579                  3.015
 ROA1   Fr= 1--    -212.794               -208.202                 -8.360
 CID1   Fr= 1--    -119.591               -131.896                 -2.772
 Raman2 Fr= 1--       0.762                  0.676                  1.264
 ROA2   Fr= 1--     -32.583                -31.671                  2.544
 CID2   Fr= 1--     -42.734                -46.836                  2.013
 Raman3 Fr= 1--       1.525                  1.352                  2.528
 ROA3   Fr= 1--    -212.794               -208.202                 -8.360
 CID3   Fr= 1--    -139.547               -153.950                 -3.307
 RC180  Fr= 1--       0.714                  0.713                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.07   0.05  -0.06    -0.05   0.04  -0.05
     2   6    -0.01   0.02  -0.02     0.03  -0.08   0.06     0.03  -0.06   0.05
     3   7     0.01  -0.01   0.00    -0.03   0.02  -0.00    -0.02   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.01  -0.00     0.01  -0.03   0.00     0.01  -0.02  -0.00
     6   7    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.01   0.02  -0.00
     7   6     0.01   0.06   0.04     0.01   0.07   0.05    -0.01  -0.06  -0.04
     8   6    -0.04  -0.05  -0.04    -0.04  -0.05  -0.05     0.04   0.05   0.04
     9   7     0.00   0.02   0.00     0.00   0.02   0.00    -0.00  -0.02   0.00
    10   7     0.03   0.01  -0.00    -0.01  -0.00   0.00     0.02   0.01   0.00
    11   6    -0.09   0.01   0.06     0.02  -0.00  -0.02    -0.06   0.01   0.04
    12   6     0.08   0.04  -0.06    -0.02  -0.01   0.02     0.06   0.02  -0.04
    13   7    -0.03   0.01   0.00     0.01  -0.00  -0.00    -0.02   0.00  -0.00
    14   1     0.20   0.11   0.22     0.23   0.10   0.23    -0.20  -0.12  -0.23
    15   1     0.13   0.08   0.06     0.13   0.06   0.08    -0.13  -0.09  -0.06
    16   1     0.09  -0.22  -0.21     0.07  -0.23  -0.23    -0.06   0.22   0.23
    17   1     0.05  -0.13  -0.08     0.04  -0.15  -0.07    -0.03   0.15   0.06
    18   1     0.27  -0.19  -0.31    -0.07   0.03   0.09     0.20  -0.11  -0.23
    19   1     0.17  -0.11  -0.10    -0.06   0.02   0.01     0.14  -0.07  -0.06
    20   1    -0.22  -0.25   0.31     0.05   0.08  -0.07    -0.16  -0.16   0.23
    21   1    -0.14  -0.15   0.10     0.02   0.04  -0.04    -0.12  -0.11   0.06
    22   1    -0.02  -0.10   0.08     0.02   0.32  -0.30    -0.00   0.24  -0.24
    23   1    -0.02  -0.05   0.04     0.01   0.20  -0.09    -0.01   0.16  -0.06
    24   1    -0.08   0.03  -0.09     0.32  -0.06   0.30     0.23  -0.06   0.24
    25   1    -0.06   0.02  -0.02     0.19  -0.04   0.10     0.15  -0.05   0.06
    26   1    -0.04  -0.03  -0.01     0.13   0.10   0.02     0.10   0.08   0.03
    27   1     0.03   0.01   0.01    -0.11  -0.01  -0.07    -0.07  -0.02  -0.04
    28   1    -0.04  -0.03   0.01     0.13   0.10  -0.02     0.10   0.07  -0.03
    29   1     0.01   0.03  -0.02    -0.04  -0.10   0.06    -0.03  -0.06   0.04
    30   1     0.02  -0.17   0.02    -0.01   0.04  -0.00     0.02  -0.12   0.03
    31   1     0.04   0.11  -0.06    -0.02  -0.03   0.02     0.02   0.07  -0.04
    32   1     0.02  -0.16  -0.02    -0.00   0.04   0.01     0.01  -0.12  -0.03
    33   1    -0.07   0.09   0.07     0.01  -0.03  -0.01    -0.03   0.06   0.04
    34   1     0.11  -0.05  -0.01     0.11  -0.05  -0.01    -0.12   0.04   0.03
    35   1    -0.05   0.07   0.05    -0.05   0.06   0.05     0.05  -0.05  -0.04
    36   1     0.11  -0.05   0.01     0.11  -0.05   0.01    -0.11   0.05  -0.03
    37   1    -0.08  -0.01  -0.04    -0.09  -0.02  -0.05     0.07   0.00   0.04
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1503.0039              1503.1437              1503.6059
 Red. masses --      1.0769                 1.0776                 1.0812
 Frc consts  --      1.4333                 1.4345                 1.4402
 IR Inten    --     44.6696                36.1817                 1.6456
 RamAct Fr= 1--      9.6435                12.7294                 1.1293
  Dep-P Fr= 1--      0.7448                 0.6529                 0.6821
  Dep-U Fr= 1--      0.8538                 0.7900                 0.8110
 Alpha2 Fr= 1--      0.0008                 0.0222                 0.0014
 Beta2  Fr= 1--      1.3722                 1.6761                 0.1526
 AlphaG Fr= 1--     -0.0005                -0.0261                -0.0017
 Gamma2 Fr= 1--     -0.9986                 0.4797                 0.5241
 Delta2 Fr= 1--     -1.8259                -1.2720                 0.0909
 Raman1 Fr= 1--      38.574                 50.917                  4.517
 ROA1   Fr= 1--    -154.296                  5.349                 53.220
 CID1   Fr= 1--      -4.000                  0.105                 11.782
 Raman2 Fr= 1--      16.466                 20.113                  1.832
 ROA2   Fr= 1--      -9.360                 21.689                 11.851
 CID2   Fr= 1--      -0.568                  1.078                  6.470
 Raman3 Fr= 1--      32.933                 40.226                  3.663
 ROA3   Fr= 1--    -154.296                  5.349                 53.220
 CID3   Fr= 1--      -4.685                  0.133                 14.527
 RC180  Fr= 1--       0.708                  0.580                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00     0.00  -0.02  -0.00     0.00  -0.01   0.00
     2   6    -0.05   0.01   0.01     0.04  -0.01  -0.00     0.03  -0.01  -0.00
     3   7    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03  -0.01   0.00    -0.04  -0.02   0.00     0.03   0.02  -0.00
     8   6    -0.00  -0.01  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    11   6    -0.02  -0.02  -0.00    -0.01  -0.02  -0.01    -0.03  -0.03  -0.00
    12   6    -0.03   0.02  -0.00     0.00  -0.01   0.00    -0.03   0.02  -0.00
    13   7    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.02   0.05   0.05    -0.17   0.16   0.13     0.15  -0.13  -0.10
    15   1     0.00   0.06  -0.04     0.00   0.23  -0.15    -0.00  -0.19   0.13
    16   1     0.29  -0.04   0.12     0.38  -0.03   0.18    -0.24   0.01  -0.12
    17   1     0.18   0.19  -0.18     0.25   0.26  -0.24    -0.15  -0.17   0.15
    18   1     0.06   0.25  -0.13     0.01   0.19  -0.06     0.07   0.34  -0.18
    19   1     0.22   0.12   0.17     0.14   0.08   0.12     0.29   0.16   0.23
    20   1     0.13  -0.26  -0.14    -0.02   0.09   0.01     0.14  -0.27  -0.16
    21   1     0.27  -0.07   0.19    -0.06   0.02  -0.05     0.29  -0.07   0.20
    22   1     0.36   0.14   0.17    -0.31  -0.11  -0.16    -0.23  -0.09  -0.12
    23   1     0.30  -0.18  -0.24    -0.26   0.16   0.21    -0.20   0.12   0.16
    24   1    -0.03  -0.09   0.08     0.10   0.17  -0.11     0.04   0.08  -0.06
    25   1     0.03  -0.10  -0.07    -0.05   0.18   0.13    -0.02   0.09   0.06
    26   1     0.01   0.01   0.02     0.01   0.00  -0.01    -0.01  -0.02  -0.02
    27   1     0.00  -0.01   0.00     0.00   0.01  -0.00    -0.01   0.01  -0.01
    28   1     0.02   0.01  -0.01    -0.00  -0.00  -0.00     0.02   0.01  -0.01
    29   1    -0.01   0.01  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    30   1     0.00  -0.02  -0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
    31   1    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.01   0.00  -0.01
    32   1    -0.00   0.01  -0.01     0.00   0.03   0.02    -0.01  -0.02  -0.02
    33   1    -0.00   0.01   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    34   1     0.02  -0.01  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.02
    35   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    36   1     0.01  -0.01   0.02    -0.01  -0.00   0.02    -0.00   0.01  -0.01
    37   1    -0.00   0.01   0.00    -0.01   0.01   0.00    -0.00  -0.01  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.0513              1504.4687              1504.7975
 Red. masses --      1.0782                 1.0843                 1.0843
 Frc consts  --      1.4371                 1.4461                 1.4466
 IR Inten    --      5.4559                 4.2638                 1.0395
 RamAct Fr= 1--     16.7081                 0.9220                 2.7637
  Dep-P Fr= 1--      0.3264                 0.6766                 0.6838
  Dep-U Fr= 1--      0.4922                 0.8071                 0.8122
 Alpha2 Fr= 1--      0.1581                 0.0012                 0.0032
 Beta2  Fr= 1--      1.3706                 0.1240                 0.3741
 AlphaG Fr= 1--     -0.1929                -0.0016                -0.0027
 Gamma2 Fr= 1--     -2.3759                 2.7279                 4.0354
 Delta2 Fr= 1--     -0.4330                 1.2754                 1.5093
 Raman1 Fr= 1--      66.832                  3.688                 11.055
 ROA1   Fr= 1--    -241.941                302.694                435.691
 CID1   Fr= 1--      -3.620                 82.076                 39.412
 Raman2 Fr= 1--      16.447                  1.488                  4.489
 ROA2   Fr= 1--     -53.557                 55.267                 84.774
 CID2   Fr= 1--      -3.256                 37.135                 18.884
 Raman3 Fr= 1--      32.895                  2.977                  8.979
 ROA3   Fr= 1--    -241.941                302.694                435.691
 CID3   Fr= 1--      -7.355                101.694                 48.526
 RC180  Fr= 1--      -0.016                  0.614                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01
     2   6    -0.01  -0.01   0.01    -0.02   0.00   0.00    -0.02  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     6   7     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.03   0.00  -0.01     0.03   0.01  -0.00    -0.02  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.01  -0.02   0.00    -0.02   0.04  -0.00
     9   7     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6     0.01   0.02   0.01    -0.03  -0.04  -0.01     0.00   0.00   0.00
    12   6    -0.02   0.02  -0.01     0.04  -0.03   0.01     0.01  -0.01   0.00
    13   7    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    14   1    -0.34   0.24   0.15    -0.14   0.09   0.05     0.28  -0.21  -0.14
    15   1     0.01   0.36  -0.25     0.01   0.14  -0.09    -0.02  -0.31   0.21
    16   1    -0.22   0.06  -0.05    -0.23   0.04  -0.09     0.13  -0.04   0.03
    17   1    -0.13  -0.13   0.13    -0.14  -0.16   0.14     0.07   0.09  -0.07
    18   1    -0.00  -0.16   0.04     0.03   0.40  -0.14    -0.01  -0.04   0.02
    19   1    -0.12  -0.06  -0.09     0.31   0.16   0.24    -0.03  -0.02  -0.03
    20   1     0.08  -0.24  -0.09    -0.13   0.38   0.13    -0.03   0.07   0.04
    21   1     0.21  -0.05   0.15    -0.34   0.07  -0.23    -0.07   0.02  -0.05
    22   1     0.10   0.07   0.01     0.18   0.07   0.08     0.18   0.11   0.05
    23   1     0.07  -0.04  -0.06     0.15  -0.09  -0.12     0.14  -0.10  -0.11
    24   1     0.22   0.26  -0.12     0.06   0.05  -0.02     0.31   0.38  -0.19
    25   1    -0.08   0.28   0.21    -0.02   0.06   0.04    -0.13   0.42   0.30
    26   1     0.02   0.03   0.02     0.01   0.01   0.02    -0.00  -0.00   0.02
    27   1     0.01  -0.02   0.01     0.01  -0.01   0.01     0.01  -0.01   0.00
    28   1     0.03   0.01  -0.03    -0.01  -0.01  -0.00     0.02   0.00  -0.04
    29   1    -0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.02   0.02  -0.01
    30   1     0.01  -0.02   0.02    -0.01   0.01  -0.03     0.00  -0.01   0.00
    31   1    -0.02  -0.00   0.00     0.02  -0.00  -0.01    -0.00   0.00   0.00
    32   1    -0.01  -0.03  -0.03     0.00   0.01   0.03     0.00   0.01   0.01
    33   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    34   1    -0.03   0.00   0.04     0.01  -0.00   0.01     0.01   0.00  -0.03
    35   1     0.01   0.02   0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.01
    36   1    -0.03   0.02  -0.03    -0.01   0.01  -0.02    -0.01   0.01   0.01
    37   1    -0.01  -0.02  -0.01    -0.00  -0.02  -0.01    -0.00   0.01  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1647.3931              1656.8081              1657.1609
 Red. masses --      1.0762                 1.0806                 1.0807
 Frc consts  --      1.7208                 1.7477                 1.7486
 IR Inten    --    228.3455                 5.4145                 5.2090
 RamAct Fr= 1--      0.0037                 5.1976                 5.3266
  Dep-P Fr= 1--      0.6437                 0.7499                 0.7498
  Dep-U Fr= 1--      0.7832                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0005                 0.7425                 0.7608
 AlphaG Fr= 1--      0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--      0.0024                 2.4492                 2.7049
 Delta2 Fr= 1--      0.0016                 3.5999                 3.7154
 Raman1 Fr= 1--       0.015                 20.790                 21.307
 ROA1   Fr= 1--       0.283                350.318                378.564
 CID1   Fr= 1--      19.201                 16.850                 17.768
 Raman2 Fr= 1--       0.006                  8.910                  9.130
 ROA2   Fr= 1--       0.045                 29.981                 35.195
 CID2   Fr= 1--       7.728                  3.365                  3.855
 Raman3 Fr= 1--       0.012                 17.819                 18.260
 ROA3   Fr= 1--       0.283                350.318                378.564
 CID3   Fr= 1--      24.516                 19.660                 20.732
 RC180  Fr= 1--       0.566                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7     0.00   0.01  -0.02     0.00  -0.00   0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01   0.00  -0.03    -0.02   0.00  -0.04     0.00  -0.00   0.01
     6   7     0.01  -0.01  -0.02    -0.00   0.01   0.02    -0.01   0.01   0.03
     7   6    -0.00   0.00  -0.00     0.00   0.01   0.01     0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
     9   7    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.01   0.00   0.02
    10   7     0.01  -0.01  -0.03    -0.01   0.01   0.03    -0.01   0.01   0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
    13   7     0.01   0.01  -0.03    -0.00  -0.01   0.01     0.01   0.02  -0.04
    14   1     0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.00   0.01
    15   1     0.01  -0.01   0.01     0.02   0.01   0.00    -0.01   0.01  -0.01
    16   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.00  -0.00   0.00
    17   1    -0.02  -0.00   0.01     0.00  -0.02  -0.00     0.01  -0.00  -0.01
    18   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01  -0.02
    19   1     0.01   0.02   0.01     0.01  -0.02  -0.01     0.03  -0.01   0.00
    20   1     0.00  -0.00  -0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    21   1     0.01  -0.02   0.01    -0.02   0.00  -0.01    -0.02  -0.02   0.00
    22   1    -0.01   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.01
    23   1    -0.02  -0.00   0.01    -0.01   0.02   0.00    -0.01  -0.02   0.01
    24   1     0.00   0.01  -0.01     0.00  -0.01   0.01    -0.01   0.01  -0.02
    25   1     0.01   0.02   0.01     0.02   0.00   0.01    -0.01   0.01   0.00
    26   1    -0.03   0.08   0.27    -0.03   0.13   0.39     0.01  -0.01  -0.05
    27   1     0.22  -0.14   0.15     0.29  -0.20   0.20    -0.03   0.04  -0.03
    28   1    -0.07   0.05   0.26    -0.00  -0.01  -0.02    -0.11   0.06   0.37
    29   1     0.07  -0.24   0.14    -0.02   0.02  -0.01     0.11  -0.32   0.20
    30   1     0.08  -0.01   0.27    -0.04   0.02  -0.11     0.12  -0.04   0.38
    31   1    -0.22  -0.12   0.14     0.09   0.05  -0.06    -0.32  -0.15   0.20
    32   1     0.08   0.03   0.28    -0.10  -0.07  -0.35    -0.06  -0.03  -0.21
    33   1    -0.26   0.06   0.15     0.32  -0.07  -0.19     0.19  -0.03  -0.11
    34   1    -0.05  -0.07   0.26     0.05   0.05  -0.22     0.08   0.06  -0.27
    35   1     0.01   0.25   0.14    -0.02  -0.20  -0.11    -0.02  -0.25  -0.14
    36   1    -0.01  -0.09   0.27     0.00  -0.11   0.32    -0.01   0.07  -0.19
    37   1     0.17   0.19   0.14     0.19   0.23   0.17    -0.12  -0.13  -0.10
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1660.8726              1666.1424              1666.4758
 Red. masses --      1.0763                 1.0768                 1.0769
 Frc consts  --      1.7492                 1.7612                 1.7621
 IR Inten    --      0.0349                 5.1444                 4.9213
 RamAct Fr= 1--     15.6911                 2.3758                 2.4639
  Dep-P Fr= 1--      0.7480                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8558                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0000
 Beta2  Fr= 1--      2.2381                 0.3394                 0.3518
 AlphaG Fr= 1--     -0.0077                 0.0000                 0.0000
 Gamma2 Fr= 1--    -22.8572                 5.0220                 5.0987
 Delta2 Fr= 1--    -10.2679                 1.5538                 1.5779
 Raman1 Fr= 1--      62.764                  9.503                  9.856
 ROA1   Fr= 1--   -2522.860                531.830                539.973
 CID1   Fr= 1--     -40.196                 55.962                 54.788
 Raman2 Fr= 1--      26.857                  4.073                  4.221
 ROA2   Fr= 1--    -466.429                108.097                109.747
 CID2   Fr= 1--     -17.367                 26.542                 25.999
 Raman3 Fr= 1--      53.715                  8.145                  8.442
 ROA3   Fr= 1--   -2522.860                531.830                539.973
 CID3   Fr= 1--     -46.968                 65.292                 63.959
 RC180  Fr= 1--       0.712                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7    -0.00  -0.01   0.03    -0.00   0.00  -0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.02    -0.02   0.00  -0.04    -0.00   0.00  -0.00
     6   7     0.01  -0.01  -0.03    -0.00   0.01   0.02     0.01  -0.01  -0.03
     7   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.01
     8   6    -0.00   0.01   0.01    -0.00   0.00   0.01     0.00   0.01   0.00
     9   7     0.01   0.01   0.03     0.02   0.01   0.03     0.01   0.00   0.02
    10   7    -0.01   0.01   0.02     0.01  -0.01  -0.03    -0.01   0.01   0.02
    11   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   6     0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.01
    13   7     0.01   0.01  -0.02    -0.00  -0.01   0.02    -0.01  -0.01   0.03
    14   1     0.03  -0.02  -0.01     0.01  -0.00   0.00     0.01  -0.01  -0.01
    15   1    -0.02  -0.03   0.01    -0.02  -0.00  -0.00    -0.02  -0.02   0.01
    16   1     0.03  -0.01   0.01    -0.00   0.00   0.01     0.02  -0.01   0.01
    17   1     0.00   0.03  -0.01     0.01  -0.00  -0.01    -0.00   0.03  -0.00
    18   1    -0.00   0.03  -0.01     0.00  -0.02   0.01    -0.00   0.00   0.01
    19   1     0.03  -0.00   0.01    -0.03   0.01  -0.00    -0.00  -0.01  -0.01
    20   1    -0.00   0.03   0.01     0.01  -0.02  -0.01     0.00  -0.02   0.00
    21   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.01   0.02  -0.00
    22   1    -0.03  -0.02  -0.01    -0.01  -0.00  -0.01     0.02   0.01   0.00
    23   1    -0.01   0.03   0.01    -0.01   0.01   0.01     0.00  -0.03   0.00
    24   1    -0.02  -0.02   0.01    -0.02  -0.01   0.00     0.00   0.01  -0.01
    25   1     0.02  -0.02  -0.01     0.03  -0.01   0.00    -0.01   0.01   0.01
    26   1    -0.03   0.07   0.26    -0.03   0.13   0.39    -0.01   0.00   0.04
    27   1     0.19  -0.13   0.13     0.29  -0.20   0.20     0.03  -0.03   0.02
    28   1     0.07  -0.06  -0.29     0.00   0.01   0.04    -0.12   0.06   0.39
    29   1    -0.08   0.25  -0.15     0.02  -0.03   0.02     0.11  -0.33   0.20
    30   1     0.08  -0.01   0.26    -0.06   0.03  -0.16    -0.11   0.03  -0.35
    31   1    -0.21  -0.11   0.13     0.13   0.07  -0.08     0.29   0.14  -0.18
    32   1    -0.07  -0.02  -0.24     0.09   0.06   0.30    -0.06  -0.03  -0.21
    33   1     0.21  -0.05  -0.12    -0.27   0.06   0.16     0.19  -0.03  -0.11
    34   1    -0.06  -0.08   0.31     0.05   0.06  -0.24    -0.09  -0.07   0.32
    35   1     0.01   0.28   0.16    -0.02  -0.22  -0.13     0.02   0.28   0.16
    36   1     0.01   0.09  -0.29     0.00   0.11  -0.35    -0.01   0.06  -0.16
    37   1    -0.18  -0.19  -0.15    -0.20  -0.24  -0.18    -0.10  -0.11  -0.08
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.3389              3070.0140              3070.2424
 Red. masses --      1.0635                 1.0633                 1.0633
 Frc consts  --      5.9032                 5.9047                 5.9053
 IR Inten    --      4.7813                 5.1299                 6.8662
 RamAct Fr= 1--    261.4240               245.8433               128.2813
  Dep-P Fr= 1--      0.0280                 0.0304                 0.0644
  Dep-U Fr= 1--      0.0545                 0.0589                 0.1210
 Alpha2 Fr= 1--      5.4403                 5.0875                 2.4483
 Beta2  Fr= 1--      2.3726                 2.4150                 2.5867
 AlphaG Fr= 1--     -0.7112                -0.6302                -0.2954
 Gamma2 Fr= 1--    -11.1215                -8.5098                10.2060
 Delta2 Fr= 1--     -5.6117                -3.8238                 8.2602
 Raman1 Fr= 1--    1045.696                983.373                513.125
 ROA1   Fr= 1--   -1247.237               -939.301               1244.104
 CID1   Fr= 1--      -1.193                 -0.955                  2.425
 Raman2 Fr= 1--      28.471                 28.980                 31.040
 ROA2   Fr= 1--    -222.022               -173.645                178.862
 CID2   Fr= 1--      -7.798                 -5.992                  5.762
 Raman3 Fr= 1--      56.943                 57.960                 62.081
 ROA3   Fr= 1--   -1247.237               -939.301               1244.104
 CID3   Fr= 1--     -21.903                -16.206                 20.040
 RC180  Fr= 1--      -0.891                 -0.882                 -0.758
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.05  -0.01
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.04   0.02   0.01
     3   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.04   0.03  -0.01    -0.01  -0.01   0.00
     8   6    -0.00   0.00  -0.00     0.01  -0.05   0.01    -0.00   0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6    -0.04  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01  -0.03   0.03     0.16   0.41  -0.39    -0.03  -0.07   0.07
    15   1     0.01  -0.01  -0.01    -0.25   0.13   0.23     0.04  -0.02  -0.04
    16   1     0.02   0.04  -0.03    -0.18  -0.40   0.39     0.04   0.08  -0.08
    17   1     0.02  -0.01   0.02    -0.27   0.08  -0.23     0.06  -0.02   0.05
    18   1     0.44   0.07   0.40     0.03   0.00   0.03     0.02   0.00   0.02
    19   1    -0.01   0.29  -0.23    -0.00   0.02  -0.02    -0.00   0.02  -0.01
    20   1    -0.44  -0.05  -0.40    -0.04  -0.00  -0.04    -0.01  -0.00  -0.01
    21   1    -0.06   0.27   0.23    -0.01   0.03   0.02    -0.00   0.00   0.00
    22   1    -0.02   0.02   0.03     0.05  -0.06  -0.07     0.27  -0.34  -0.39
    23   1    -0.02  -0.01  -0.02     0.04   0.02   0.04     0.24   0.15   0.23
    24   1     0.01  -0.02  -0.02    -0.05   0.07   0.08    -0.26   0.36   0.39
    25   1    -0.01  -0.01   0.01     0.04   0.04  -0.05     0.21   0.20  -0.24
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    27   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    29   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.01
    30   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    36   1     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.8616              3075.3033              3075.6091
 Red. masses --      1.0604                 1.0604                 1.0605
 Frc consts  --      5.9070                 5.9085                 5.9105
 IR Inten    --      3.7695                 1.5980                21.1921
 RamAct Fr= 1--     48.7400                54.5811                 9.4921
  Dep-P Fr= 1--      0.7495                 0.7496                 0.7473
  Dep-U Fr= 1--      0.8568                 0.8569                 0.8554
 Alpha2 Fr= 1--      0.0005                 0.0004                 0.0004
 Beta2  Fr= 1--      6.9600                 7.7949                 1.3533
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--     13.2210                14.7208                 2.4249
 Delta2 Fr= 1--      8.2692                 9.1284                 1.5520
 Raman1 Fr= 1--     194.960                218.325                 37.968
 ROA1   Fr= 1--    1533.828               1705.304                282.455
 CID1   Fr= 1--       7.867                  7.811                  7.439
 Raman2 Fr= 1--      83.519                 93.538                 16.239
 ROA2   Fr= 1--     251.151                280.271                 45.782
 CID2   Fr= 1--       3.007                  2.996                  2.819
 Raman3 Fr= 1--     167.039                187.077                 32.478
 ROA3   Fr= 1--    1533.828               1705.304                282.455
 CID3   Fr= 1--       9.182                  9.116                  8.697
 RC180  Fr= 1--       0.714                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00  -0.03  -0.00     0.01   0.04   0.00
     2   6    -0.01   0.00   0.00     0.03  -0.00  -0.00    -0.04   0.01   0.00
     3   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6    -0.01  -0.00   0.00    -0.04  -0.02   0.00    -0.02  -0.01   0.00
     8   6     0.00  -0.01   0.00     0.01  -0.04   0.00     0.01  -0.02   0.00
     9   7     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.04   0.03  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.03   0.08  -0.07     0.11   0.28  -0.27     0.07   0.18  -0.18
    15   1    -0.07   0.04   0.07    -0.28   0.15   0.25    -0.19   0.10   0.17
    16   1     0.03   0.06  -0.06     0.12   0.28  -0.28     0.08   0.18  -0.17
    17   1     0.07  -0.02   0.06     0.31  -0.10   0.26     0.20  -0.06   0.16
    18   1     0.35   0.05   0.32    -0.04  -0.01  -0.03    -0.08  -0.01  -0.08
    19   1    -0.01   0.37  -0.30     0.00  -0.04   0.03     0.00  -0.09   0.07
    20   1     0.36   0.04   0.33    -0.02  -0.00  -0.02    -0.09  -0.01  -0.08
    21   1     0.08  -0.37  -0.30    -0.01   0.03   0.02    -0.02   0.09   0.07
    22   1     0.03  -0.04  -0.04    -0.13   0.17   0.19     0.19  -0.24  -0.27
    23   1     0.05   0.03   0.04    -0.19  -0.12  -0.18     0.27   0.17   0.26
    24   1     0.04  -0.05  -0.06    -0.12   0.16   0.18     0.18  -0.24  -0.27
    25   1    -0.05  -0.04   0.05     0.16   0.15  -0.17    -0.24  -0.22   0.25
    26   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    28   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1    -0.01   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.2043              3115.4595              3115.5691
 Red. masses --      1.1072                 1.1074                 1.1074
 Frc consts  --      6.3308                 6.3326                 6.3333
 IR Inten    --      9.7779                10.7282                 3.7552
 RamAct Fr= 1--    132.2599               129.5118               138.0224
  Dep-P Fr= 1--      0.5117                 0.6068                 0.1725
  Dep-U Fr= 1--      0.6770                 0.7553                 0.2943
 Alpha2 Fr= 1--      0.6176                 0.3419                 2.0141
 Beta2  Fr= 1--     14.9238                16.3039                 6.7700
 AlphaG Fr= 1--      0.1229                 0.0706                 0.3871
 Gamma2 Fr= 1--    -33.6502               -41.1327                 7.9892
 Delta2 Fr= 1--    -23.7500               -29.7568                10.4221
 Raman1 Fr= 1--     529.040                518.047                552.090
 ROA1   Fr= 1--   -3990.422              -4900.959               1100.471
 CID1   Fr= 1--      -7.543                 -9.460                  1.993
 Raman2 Fr= 1--     179.085                195.647                 81.240
 ROA2   Fr= 1--    -617.605               -749.131                108.363
 CID2   Fr= 1--      -3.449                 -3.829                  1.334
 Raman3 Fr= 1--     358.170                391.293                162.480
 ROA3   Fr= 1--   -3990.422              -4900.959               1100.471
 CID3   Fr= 1--     -11.141                -12.525                  6.773
 RC180  Fr= 1--       0.354                  0.511                 -0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.02  -0.00   0.02    -0.04  -0.01   0.05
     2   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02    -0.02  -0.03  -0.05
     3   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01    -0.03   0.03  -0.05     0.01  -0.01   0.02
     8   6     0.01   0.00  -0.01    -0.04  -0.00   0.05     0.02   0.00  -0.02
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.01
    12   6    -0.01  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01  -0.03   0.03     0.09   0.23  -0.22    -0.04  -0.10   0.09
    15   1    -0.05   0.03   0.05     0.37  -0.22  -0.34    -0.16   0.09   0.15
    16   1     0.01   0.03  -0.03    -0.11  -0.23   0.22     0.05   0.10  -0.09
    17   1    -0.05   0.01  -0.04     0.42  -0.11   0.34    -0.18   0.05  -0.14
    18   1    -0.27  -0.05  -0.23    -0.02  -0.00  -0.02     0.03   0.01   0.03
    19   1     0.00   0.47  -0.37     0.00   0.04  -0.03    -0.00  -0.06   0.05
    20   1     0.27   0.02   0.23     0.02   0.00   0.02    -0.04  -0.00  -0.03
    21   1    -0.12   0.46   0.36    -0.01   0.03   0.03     0.02  -0.06  -0.05
    22   1    -0.02   0.02   0.02    -0.07   0.09   0.10    -0.16   0.19   0.22
    23   1     0.04   0.02   0.03     0.17   0.10   0.15     0.37   0.21   0.33
    24   1     0.02  -0.02  -0.02     0.06  -0.09  -0.10     0.14  -0.21  -0.22
    25   1     0.03   0.03  -0.04     0.14   0.13  -0.15     0.31   0.31  -0.34
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.01
    28   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.01
    36   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.00   0.00  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5132              3125.9479              3126.0975
 Red. masses --      1.1101                 1.1101                 1.1101
 Frc consts  --      6.3894                 6.3909                 6.3915
 IR Inten    --      4.2602                 4.2249                 4.3967
 RamAct Fr= 1--     47.9552                47.3509                52.2708
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7498
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0002
 Beta2  Fr= 1--      6.8504                 6.7644                 7.4663
 AlphaG Fr= 1--     -0.0001                -0.0000                 0.0001
 Gamma2 Fr= 1--     27.5186                27.6593                30.1691
 Delta2 Fr= 1--      5.3120                 5.3307                 5.7722
 Raman1 Fr= 1--     191.821                189.404                209.083
 ROA1   Fr= 1--    2811.772               2825.879               3080.940
 CID1   Fr= 1--      14.658                 14.920                 14.735
 Raman2 Fr= 1--      82.205                 81.173                 89.595
 ROA2   Fr= 1--     617.952                621.178                677.880
 CID2   Fr= 1--       7.517                  7.653                  7.566
 Raman3 Fr= 1--     164.409                162.346                179.191
 ROA3   Fr= 1--    2811.772               2825.879               3080.940
 CID3   Fr= 1--      17.102                 17.407                 17.194
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.00  -0.05
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.04  -0.05
     3   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.02   0.04  -0.05     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.04   0.01  -0.05    -0.00  -0.00   0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.03  -0.03   0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.02   0.03   0.05     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.01    -0.13  -0.36   0.33     0.01   0.02  -0.02
    15   1     0.01  -0.00  -0.01    -0.34   0.20   0.30     0.02  -0.01  -0.02
    16   1     0.00   0.01  -0.01    -0.16  -0.34   0.32     0.01   0.02  -0.02
    17   1    -0.01   0.00  -0.01     0.38  -0.10   0.30    -0.03   0.01  -0.02
    18   1    -0.37  -0.06  -0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    19   1     0.00   0.39  -0.30     0.00   0.01  -0.01    -0.00   0.01  -0.01
    20   1    -0.38  -0.03  -0.33    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    21   1     0.10  -0.38  -0.31     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    22   1     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.24   0.29   0.33
    23   1    -0.01  -0.00  -0.01     0.02   0.01   0.02     0.34   0.19   0.30
    24   1     0.00  -0.00  -0.00    -0.02   0.02   0.02    -0.22   0.31   0.33
    25   1     0.00   0.00  -0.00    -0.02  -0.02   0.02    -0.27  -0.27   0.30
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    33   1     0.01  -0.01   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   1    -0.00  -0.00   0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.8540              3431.3797              3431.6221
 Red. masses --      1.0529                 1.0529                 1.0529
 Frc consts  --      7.3022                 7.3044                 7.3054
 IR Inten    --    171.8403                42.0467                29.9404
 RamAct Fr= 1--      2.0684                17.9065                 2.0055
  Dep-P Fr= 1--      0.2635                 0.0989                 0.7367
  Dep-U Fr= 1--      0.4171                 0.1799                 0.8484
 Alpha2 Fr= 1--      0.0236                 0.3144                 0.0005
 Beta2  Fr= 1--      0.1438                 0.5370                 0.2836
 AlphaG Fr= 1--     -0.0028                -0.0703                -0.0002
 Gamma2 Fr= 1--      0.3758                 7.6073                10.9509
 Delta2 Fr= 1--     -0.1445                -0.0083                -0.9880
 Raman1 Fr= 1--       8.273                 71.626                  8.022
 ROA1   Fr= 1--      31.452                730.033               1019.671
 CID1   Fr= 1--       3.802                 10.192                127.111
 Raman2 Fr= 1--       1.725                  6.444                  3.403
 ROA2   Fr= 1--      10.174                182.641                270.726
 CID2   Fr= 1--       5.897                 28.344                 79.557
 Raman3 Fr= 1--       3.451                 12.888                  6.806
 ROA3   Fr= 1--      31.452                730.033               1019.671
 CID3   Fr= 1--       9.114                 56.647                149.822
 RC180  Fr= 1--      -0.166                 -0.640                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.01
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00  -0.00   0.01
     6   7    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04     0.00   0.01   0.03
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.03
    10   7     0.01   0.00  -0.04    -0.01  -0.00   0.03    -0.00  -0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.02     0.00   0.00  -0.01     0.01   0.00  -0.04
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    19   1     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00   0.01
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.16  -0.16   0.05    -0.10   0.10  -0.03    -0.04   0.04  -0.01
    27   1    -0.11   0.10   0.24     0.07  -0.07  -0.16     0.03  -0.03  -0.06
    28   1     0.07  -0.13   0.03     0.11  -0.20   0.05    -0.07   0.12  -0.03
    29   1    -0.05   0.09   0.16    -0.07   0.14   0.25     0.04  -0.08  -0.15
    30   1    -0.19  -0.05   0.04    -0.09  -0.02   0.02    -0.38  -0.10   0.09
    31   1     0.14   0.04   0.22     0.07   0.02   0.11     0.26   0.08   0.43
    32   1    -0.40   0.00   0.09     0.34  -0.00  -0.07     0.10  -0.00  -0.02
    33   1     0.29  -0.01   0.45    -0.24   0.01  -0.37    -0.07   0.00  -0.12
    34   1     0.06   0.22   0.05     0.10   0.36   0.08    -0.07  -0.25  -0.06
    35   1    -0.04  -0.16   0.26    -0.06  -0.26   0.42     0.04   0.18  -0.29
    36   1     0.09   0.15   0.04     0.08   0.14   0.04     0.16   0.28   0.07
    37   1    -0.07  -0.11   0.20    -0.06  -0.09   0.17    -0.12  -0.19   0.36
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3432.5865              3432.6909              3433.1997
 Red. masses --      1.0530                 1.0530                 1.0532
 Frc consts  --      7.3099                 7.3107                 7.3137
 IR Inten    --     12.8414                 0.8203                 1.2218
 RamAct Fr= 1--     16.1349                19.0631               380.5052
  Dep-P Fr= 1--      0.6775                 0.5053                 0.0201
  Dep-U Fr= 1--      0.8078                 0.6713                 0.0394
 Alpha2 Fr= 1--      0.0207                 0.0918                 8.0672
 Beta2  Fr= 1--      2.1722                 2.1329                 2.4973
 AlphaG Fr= 1--     -0.0042                -0.0235                -1.6533
 Gamma2 Fr= 1--     -5.3127                -3.5631                -2.6270
 Delta2 Fr= 1--     -0.5763                -1.7539                -2.1559
 Raman1 Fr= 1--      64.540                 76.252               1522.021
 ROA1   Fr= 1--    -528.463               -398.178               -321.184
 CID1   Fr= 1--      -8.188                 -5.222                 -0.211
 Raman2 Fr= 1--      26.066                 25.595                 29.968
 ROA2   Fr= 1--    -122.895                -71.483                -45.801
 CID2   Fr= 1--      -4.715                 -2.793                 -1.528
 Raman3 Fr= 1--      52.132                 51.191                 59.935
 ROA3   Fr= 1--    -528.463               -398.178               -321.184
 CID3   Fr= 1--     -10.137                 -7.778                 -5.359
 RC180  Fr= 1--       0.616                  0.343                 -0.921
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00   0.00  -0.03     0.00  -0.01   0.03    -0.00   0.01  -0.03
     4  45     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.01  -0.04    -0.00   0.00  -0.01     0.00  -0.00   0.03
     6   7     0.00   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.02
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00  -0.01  -0.04    -0.00  -0.00  -0.02
    10   7    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00   0.01    -0.01  -0.00   0.03    -0.00  -0.00   0.02
    14   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   1     0.31  -0.31   0.10     0.08  -0.08   0.03    -0.20   0.20  -0.06
    27   1    -0.23   0.21   0.49    -0.06   0.06   0.13     0.15  -0.14  -0.31
    28   1     0.13  -0.24   0.06    -0.14   0.25  -0.06     0.16  -0.29   0.07
    29   1    -0.09   0.17   0.30     0.09  -0.18  -0.31    -0.11   0.21   0.37
    30   1     0.07   0.02  -0.02     0.31   0.09  -0.07     0.21   0.06  -0.05
    31   1    -0.05  -0.02  -0.08    -0.22  -0.07  -0.36    -0.15  -0.05  -0.24
    32   1     0.21  -0.00  -0.05     0.03  -0.00  -0.01    -0.15   0.00   0.03
    33   1    -0.15   0.01  -0.24    -0.02   0.00  -0.03     0.11  -0.01   0.18
    34   1    -0.05  -0.18  -0.04     0.03   0.11   0.03    -0.05  -0.20  -0.05
    35   1     0.03   0.13  -0.21    -0.02  -0.08   0.13     0.03   0.15  -0.24
    36   1     0.03   0.04   0.01     0.19   0.32   0.08     0.12   0.20   0.05
    37   1    -0.02  -0.03   0.06    -0.15  -0.23   0.42    -0.09  -0.14   0.26
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3481.5083              3482.0571              3482.1925
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8013                 7.8032                 7.8031
 IR Inten    --     31.4116                33.8102                24.6513
 RamAct Fr= 1--     28.6114                20.7627                24.8573
  Dep-P Fr= 1--      0.6178                 0.5856                 0.7492
  Dep-U Fr= 1--      0.7637                 0.7387                 0.8566
 Alpha2 Fr= 1--      0.0693                 0.0638                 0.0003
 Beta2  Fr= 1--      3.6419                 2.5561                 3.5489
 AlphaG Fr= 1--      0.2980                 0.2737                 0.0028
 Gamma2 Fr= 1--      9.2245                18.5208               -41.4052
 Delta2 Fr= 1--      0.3810                 2.2322               -16.1007
 Raman1 Fr= 1--     114.445                 83.051                 99.429
 ROA1   Fr= 1--     897.742               1849.427              -4490.126
 CID1   Fr= 1--       7.844                 22.269                -45.159
 Raman2 Fr= 1--      43.702                 30.673                 42.587
 ROA2   Fr= 1--     218.340                426.642               -864.920
 CID2   Fr= 1--       4.996                 13.909                -20.310
 Raman3 Fr= 1--      87.405                 61.346                 85.174
 ROA3   Fr= 1--     897.742               1849.427              -4490.126
 CID3   Fr= 1--      10.271                 30.147                -52.717
 RC180  Fr= 1--       0.527                  0.477                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.00  -0.00  -0.00    -0.01   0.02   0.01    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.00  -0.02   0.01     0.01   0.03  -0.01    -0.02  -0.06   0.02
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00  -0.01   0.00
    10   7    -0.07   0.00  -0.02    -0.01   0.00  -0.00     0.01  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.06  -0.02  -0.02    -0.02  -0.01  -0.01
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.01  -0.01
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.00   0.01     0.00   0.00   0.00
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.03   0.03  -0.01    -0.02   0.02  -0.01     0.02  -0.03   0.01
    27   1    -0.01   0.01   0.03    -0.01   0.01   0.02     0.01  -0.01  -0.02
    28   1    -0.01   0.02  -0.01     0.10  -0.17   0.05     0.18  -0.31   0.10
    29   1    -0.00   0.01   0.02     0.03  -0.07  -0.13     0.06  -0.13  -0.25
    30   1     0.00   0.00  -0.00     0.62   0.16  -0.17     0.21   0.06  -0.06
    31   1     0.00   0.00   0.00     0.24   0.08   0.44     0.09   0.03   0.16
    32   1     0.74   0.00  -0.20     0.06  -0.00  -0.02    -0.13   0.00   0.04
    33   1     0.29  -0.02   0.51     0.03  -0.00   0.04    -0.05   0.00  -0.09
    34   1     0.05   0.17   0.05    -0.08  -0.30  -0.08     0.16   0.60   0.17
    35   1     0.01   0.07  -0.12    -0.02  -0.12   0.21     0.05   0.24  -0.42
    36   1    -0.03  -0.05  -0.01    -0.09  -0.16  -0.05     0.03   0.06   0.02
    37   1    -0.01  -0.02   0.03    -0.04  -0.06   0.13     0.01   0.02  -0.04
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.2279              3482.5349              3482.6118
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8045                 7.8050                 7.8051
 IR Inten    --     28.2080                53.5974                30.2478
 RamAct Fr= 1--     37.2168                 8.3948                29.3059
  Dep-P Fr= 1--      0.5835                 0.7157                 0.7332
  Dep-U Fr= 1--      0.7370                 0.8343                 0.8461
 Alpha2 Fr= 1--      0.1159                 0.0050                 0.0084
 Beta2  Fr= 1--      4.5715                 1.1673                 4.1326
 AlphaG Fr= 1--      0.5028                 0.0224                 0.0366
 Gamma2 Fr= 1--     36.1130                -8.1112               -40.0789
 Delta2 Fr= 1--      7.6738                 5.5303                 0.8766
 Raman1 Fr= 1--     148.867                 33.579                117.224
 ROA1   Fr= 1--    3712.414               -601.702              -3819.527
 CID1   Fr= 1--      24.938                -17.919                -32.583
 Raman2 Fr= 1--      54.858                 14.008                 49.591
 ROA2   Fr= 1--     805.322               -238.911               -968.908
 CID2   Fr= 1--      14.680                -17.055                -19.538
 Raman3 Fr= 1--     109.717                 28.016                 99.183
 ROA3   Fr= 1--    3712.414               -601.702              -3819.527
 CID3   Fr= 1--      33.836                -21.477                -38.510
 RC180  Fr= 1--       0.474                  0.669                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.03  -0.05  -0.02    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.03  -0.03  -0.01     0.03  -0.03  -0.01     0.04  -0.03  -0.01
     6   7     0.00   0.01  -0.00    -0.01  -0.02   0.01     0.00   0.01  -0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.03  -0.05   0.02     0.01   0.02  -0.01     0.02   0.03  -0.01
    10   7    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.00    -0.02  -0.01  -0.01     0.03   0.01   0.01
    14   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.00  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.01   0.01   0.01    -0.00   0.01   0.01    -0.00   0.01   0.01
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.31   0.31  -0.12    -0.28   0.28  -0.11    -0.34   0.34  -0.13
    27   1    -0.13   0.12   0.30    -0.12   0.11   0.27    -0.14   0.13   0.33
    28   1     0.03  -0.05   0.02    -0.26   0.44  -0.14     0.19  -0.33   0.10
    29   1     0.01  -0.02  -0.04    -0.09   0.19   0.36     0.07  -0.14  -0.27
    30   1     0.09   0.02  -0.02     0.20   0.05  -0.05    -0.26  -0.07   0.07
    31   1     0.03   0.01   0.06     0.08   0.03   0.14    -0.10  -0.03  -0.19
    32   1     0.04   0.00  -0.01    -0.12   0.00   0.03    -0.02   0.00   0.01
    33   1     0.02  -0.00   0.03    -0.05   0.00  -0.08    -0.01   0.00  -0.02
    34   1    -0.03  -0.10  -0.03     0.06   0.24   0.07    -0.02  -0.06  -0.02
    35   1    -0.01  -0.04   0.06     0.02   0.09  -0.17    -0.01  -0.03   0.04
    36   1     0.30   0.53   0.17    -0.11  -0.19  -0.06    -0.18  -0.31  -0.10
    37   1     0.13   0.20  -0.42    -0.05  -0.07   0.15    -0.08  -0.12   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2545.129212547.041233955.93264
           X            1.00000  -0.00201  -0.00001
           Y            0.00201   1.00000  -0.00001
           Z            0.00001   0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03403     0.03401     0.02189
 Rotational constants (GHZ):           0.70910     0.70856     0.45621
 Zero-point vibrational energy     926060.3 (Joules/Mol)
                                  221.33371 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    120.10   123.15   167.12   205.89   206.96
          (Kelvin)            234.94   308.55   309.38   317.78   353.19
                              433.18   434.00   440.24   471.24   472.31
                              578.94   585.44   585.86   666.53   667.03
                              720.66   771.60   771.81   816.43   991.54
                              992.71  1005.01  1030.38  1109.35  1110.70
                             1246.58  1246.65  1250.02  1250.24  1250.40
                             1263.31  1410.93  1415.00  1415.14  1440.90
                             1440.94  1448.56  1510.23  1510.33  1510.61
                             1603.28  1603.61  1616.34  1685.36  1686.03
                             1708.83  1759.55  1760.50  1794.23  1858.18
                             1858.79  1870.24  1914.11  1914.32  1933.53
                             1938.74  1938.98  1945.40  2020.89  2020.99
                             2026.22  2075.21  2075.25  2081.36  2162.49
                             2162.69  2163.35  2163.99  2164.59  2165.07
                             2370.23  2383.78  2384.28  2389.63  2397.21
                             2397.69  4416.09  4417.07  4417.39  4424.04
                             4424.68  4425.12  4482.08  4482.45  4482.61
                             4496.92  4497.54  4497.76  4936.23  4936.99
                             4937.34  4938.73  4938.88  4939.61  5009.11
                             5009.90  5010.10  5010.15  5010.59  5010.70
 
 Zero-point correction=                           0.352718 (Hartree/Particle)
 Thermal correction to Energy=                    0.367705
 Thermal correction to Enthalpy=                  0.368649
 Thermal correction to Gibbs Free Energy=         0.312298
 Sum of electronic and zero-point Energies=           -681.283374
 Sum of electronic and thermal Energies=              -681.268387
 Sum of electronic and thermal Enthalpies=            -681.267443
 Sum of electronic and thermal Free Energies=         -681.323794
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.738             60.508            118.601
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.617
 Vibrational            228.961             54.546             44.164
 Vibration     1          0.600              1.961              3.807
 Vibration     2          0.601              1.959              3.758
 Vibration     3          0.608              1.936              3.163
 Vibration     4          0.616              1.910              2.762
 Vibration     5          0.616              1.909              2.752
 Vibration     6          0.623              1.887              2.511
 Vibration     7          0.644              1.819              2.005
 Vibration     8          0.645              1.818              2.001
 Vibration     9          0.648              1.809              1.952
 Vibration    10          0.660              1.770              1.763
 Vibration    11          0.693              1.672              1.411
 Vibration    12          0.694              1.671              1.408
 Vibration    13          0.696              1.662              1.384
 Vibration    14          0.711              1.620              1.272
 Vibration    15          0.711              1.619              1.269
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.772              1.455              0.938
 Vibration    18          0.772              1.455              0.937
 Vibration    19          0.821              1.332              0.757
 Vibration    20          0.821              1.331              0.756
 Vibration    21          0.856              1.248              0.656
 Vibration    22          0.891              1.170              0.573
 Vibration    23          0.891              1.169              0.573
 Vibration    24          0.923              1.102              0.509
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.225495-143       -143.646863       -330.759126
 Total V=0       0.390735D+19         18.591883         42.809392
 Vib (Bot)       0.664362-158       -158.177595       -364.217373
 Vib (Bot)    1  0.246572D+01          0.391944          0.902483
 Vib (Bot)    2  0.240400D+01          0.380934          0.877133
 Vib (Bot)    3  0.176086D+01          0.245725          0.565803
 Vib (Bot)    4  0.141970D+01          0.152197          0.350446
 Vib (Bot)    5  0.141211D+01          0.149868          0.345085
 Vib (Bot)    6  0.123677D+01          0.092291          0.212507
 Vib (Bot)    7  0.924492D+00         -0.034097         -0.078511
 Vib (Bot)    8  0.921771D+00         -0.035377         -0.081459
 Vib (Bot)    9  0.895244D+00         -0.048058         -0.110659
 Vib (Bot)   10  0.796748D+00         -0.098679         -0.227217
 Vib (Bot)   11  0.631273D+00         -0.199783         -0.460017
 Vib (Bot)   12  0.629872D+00         -0.200747         -0.462238
 Vib (Bot)   13  0.619423D+00         -0.208013         -0.478968
 Vib (Bot)   14  0.571343D+00         -0.243103         -0.559765
 Vib (Bot)   15  0.569790D+00         -0.244285         -0.562488
 Vib (Bot)   16  0.442176D+00         -0.354404         -0.816046
 Vib (Bot)   17  0.435812D+00         -0.360700         -0.830543
 Vib (Bot)   18  0.435406D+00         -0.361105         -0.831475
 Vib (Bot)   19  0.366159D+00         -0.436330         -1.004688
 Vib (Bot)   20  0.365781D+00         -0.436778         -1.005719
 Vib (Bot)   21  0.327867D+00         -0.484302         -1.115147
 Vib (Bot)   22  0.296462D+00         -0.528032         -1.215838
 Vib (Bot)   23  0.296342D+00         -0.528206         -1.216240
 Vib (Bot)   24  0.271905D+00         -0.565582         -1.302301
 Vib (V=0)       0.115120D+05          4.061151          9.351145
 Vib (V=0)    1  0.301590D+01          0.479417          1.103899
 Vib (V=0)    2  0.295544D+01          0.470623          1.083649
 Vib (V=0)    3  0.233047D+01          0.367444          0.846071
 Vib (V=0)    4  0.200517D+01          0.302152          0.695731
 Vib (V=0)    5  0.199802D+01          0.300599          0.692155
 Vib (V=0)    6  0.183402D+01          0.263404          0.606511
 Vib (V=0)    7  0.155104D+01          0.190623          0.438926
 Vib (V=0)    8  0.154865D+01          0.189952          0.437382
 Vib (V=0)    9  0.152541D+01          0.183386          0.422262
 Vib (V=0)   10  0.144064D+01          0.158556          0.365089
 Vib (V=0)   11  0.130530D+01          0.115710          0.266432
 Vib (V=0)   12  0.130420D+01          0.115345          0.265591
 Vib (V=0)   13  0.129604D+01          0.112619          0.259316
 Vib (V=0)   14  0.125923D+01          0.100106          0.230502
 Vib (V=0)   15  0.125806D+01          0.099703          0.229574
 Vib (V=0)   16  0.116747D+01          0.067247          0.154841
 Vib (V=0)   17  0.116327D+01          0.065682          0.151239
 Vib (V=0)   18  0.116301D+01          0.065582          0.151009
 Vib (V=0)   19  0.111974D+01          0.049116          0.113093
 Vib (V=0)   20  0.111951D+01          0.049029          0.112894
 Vib (V=0)   21  0.109791D+01          0.040567          0.093409
 Vib (V=0)   22  0.108128D+01          0.033939          0.078148
 Vib (V=0)   23  0.108122D+01          0.033915          0.078092
 Vib (V=0)   24  0.106915D+01          0.029039          0.066865
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181277D+07          6.258343         14.410367
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000014083    0.000001070   -0.000028809
      2        6           0.000003271   -0.000003666    0.000013123
      3        7           0.000040289    0.000003240   -0.000023439
      4       45          -0.000092645   -0.000040631   -0.000005690
      5        7           0.000020917   -0.000036648    0.000073159
      6        7          -0.000011403    0.000011425   -0.000002752
      7        6          -0.000002563   -0.000008075   -0.000006494
      8        6           0.000015348   -0.000004396    0.000016935
      9        7           0.000005582    0.000007291   -0.000078653
     10        7          -0.000017538    0.000033977   -0.000077852
     11        6          -0.000021644    0.000017925    0.000028544
     12        6          -0.000017572    0.000000981    0.000016120
     13        7           0.000074341   -0.000009136    0.000009715
     14        1          -0.000009784   -0.000002835    0.000048362
     15        1          -0.000000105   -0.000000451    0.000001678
     16        1          -0.000007679    0.000000407   -0.000000591
     17        1          -0.000000667   -0.000001352    0.000001765
     18        1           0.000003844   -0.000004862    0.000008021
     19        1           0.000000915   -0.000000949   -0.000002012
     20        1           0.000001755    0.000009231   -0.000018427
     21        1           0.000001133    0.000000281   -0.000002184
     22        1           0.000006796    0.000026127    0.000020735
     23        1          -0.000000621   -0.000001091   -0.000000406
     24        1           0.000029213   -0.000011968   -0.000051467
     25        1          -0.000000084    0.000001632    0.000000053
     26        1           0.000017803    0.000016957   -0.000024197
     27        1          -0.000013330   -0.000018114    0.000004468
     28        1           0.000024182   -0.000000748    0.000025622
     29        1           0.000002504   -0.000018473    0.000015697
     30        1          -0.000002180   -0.000009151   -0.000010645
     31        1          -0.000000436    0.000017709   -0.000020059
     32        1           0.000010304   -0.000010542    0.000020328
     33        1          -0.000001202    0.000024548    0.000002895
     34        1          -0.000005544   -0.000035706    0.000002755
     35        1           0.000006964    0.000034475   -0.000015904
     36        1          -0.000033009    0.000003133    0.000035024
     37        1          -0.000013073    0.000008383    0.000024584
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092645 RMS     0.000023815
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153393D+03 -0.183319D-01  0.246663D-01
      2  -0.183319D-01  0.153332D+03  0.148496D-01
      3   0.246663D-01  0.148496D-01  0.119620D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.470725D+01  0.176482D-01  0.877559D-01
      2  -0.134572D+00  0.458869D+01 -0.225498D-01
      3   0.626108D-01 -0.130043D+00 -0.707633D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.318509D+02 -0.782524D+02 -0.134494D+00
      2  -0.318447D+02  0.782459D+02  0.123304D+00
      3  -0.621938D-02  0.645757D-02  0.111898D-01
      4  -0.780953D+02 -0.316315D+02 -0.790611D-01
      5  -0.768187D-01  0.444727D+01  0.911887D-01
      6  -0.457164D+01  0.109513D+00 -0.608568D-03
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.654053D+00  0.158858D+01 -0.147381D+01  0.948721D+00  0.921104D+00
      2   0.158858D+01  0.176078D+01 -0.326003D+01  0.921104D+00  0.332159D+01
      3  -0.147381D+01 -0.326003D+01 -0.729223D-01 -0.337789D+01 -0.391471D+00
                 6             7             8             9            10 
      1  -0.337789D+01 -0.168308D+01 -0.451086D+01  0.347856D+00  0.417144D+01
      2  -0.391471D+00 -0.451086D+01 -0.999510D+00  0.282801D+01  0.514440D+00
      3   0.178442D+01  0.347856D+00  0.282801D+01 -0.232262D+00  0.217328D+01
                11            12            13            14            15 
      1   0.514440D+00  0.217328D+01  0.165728D+01  0.992546D+00  0.308770D+01
      2   0.651762D+00  0.321131D+01  0.992546D+00 -0.307934D+00 -0.340015D+00
      3   0.321131D+01  0.172248D+01  0.308770D+01 -0.340015D+00 -0.525699D+00
                16            17            18            19            20 
      1   0.348443D+01  0.407486D+01  0.288738D+01 -0.103106D+02 -0.189250D+01
      2   0.407486D+01 -0.658158D+00 -0.357238D+00 -0.189250D+01  0.356186D-01
      3   0.288738D+01 -0.357238D+00  0.224460D+00 -0.459635D+01 -0.235004D+01
                21            22            23            24            25 
      1  -0.459635D+01 -0.437139D+01 -0.608725D+00 -0.285939D+01 -0.359792D+01
      2  -0.235004D+01 -0.608725D+00 -0.130865D+01 -0.273530D-01 -0.154650D+01
      3  -0.216667D+01 -0.285939D+01 -0.273530D-01  0.238609D+00 -0.238757D+01
                26            27            28            29            30 
      1  -0.154650D+01 -0.238757D+01 -0.564524D+00  0.144495D+01  0.279077D-01
      2  -0.130765D+00  0.939110D+00  0.144495D+01  0.569621D+00 -0.166066D+01
      3   0.939110D+00  0.398452D+00  0.279077D-01 -0.166066D+01 -0.294338D-03
                31            32            33            34            35 
      1   0.142639D+01  0.575146D+00  0.165397D+01  0.124796D-02 -0.809330D-02
      2   0.575146D+00 -0.141871D+01 -0.101548D-01 -0.809330D-02  0.139505D-01
      3   0.165397D+01 -0.101548D-01  0.111371D-02 -0.872766D-02  0.419271D-02
                36            37            38            39            40 
      1  -0.872766D-02 -0.223259D+01 -0.236955D+01  0.167856D+01 -0.113679D+01
      2   0.419271D-02 -0.236955D+01 -0.598602D+01  0.363878D+01 -0.374185D+01
      3   0.174234D-02  0.167856D+01  0.363878D+01 -0.353456D+00  0.313125D+01
                41            42            43            44            45 
      1  -0.374185D+01  0.313125D+01  0.117839D+01  0.222903D+01  0.275621D+00
      2  -0.731938D+01  0.292464D+01  0.222903D+01  0.255001D+01 -0.251967D+01
      3   0.292464D+01 -0.214814D+01  0.275621D+00 -0.251967D+01 -0.410902D+00
                46            47            48            49            50 
      1   0.113629D+02  0.919388D+00  0.554550D+01 -0.165045D+01  0.311910D-01
      2   0.919388D+00  0.585765D-01 -0.906946D+00  0.311910D-01 -0.125211D+01
      3   0.554550D+01 -0.906946D+00  0.203052D+01 -0.138614D+01 -0.957866D+00
                51            52            53            54            55 
      1  -0.138614D+01  0.412243D+01 -0.524278D+00  0.200441D+01 -0.441504D+01
      2  -0.957866D+00 -0.524278D+00 -0.390499D+00  0.149775D+01 -0.235722D+00
      3   0.752209D+00  0.200441D+01  0.149775D+01 -0.413223D+00 -0.362425D+01
                56            57            58            59            60 
      1  -0.235722D+00 -0.362425D+01  0.802728D+00 -0.485778D+00  0.208029D+01
      2  -0.441394D+00  0.220940D+01 -0.485778D+00 -0.739387D+00  0.171549D+01
      3   0.220940D+01 -0.155449D+01  0.208029D+01  0.171549D+01 -0.920916D+00
                61            62            63            64            65 
      1  -0.526843D+01  0.258264D+01 -0.269177D+01 -0.191261D+01  0.196216D+01
      2   0.258264D+01  0.241130D+01 -0.109733D+01  0.196216D+01 -0.159562D+01
      3  -0.269177D+01 -0.109733D+01 -0.239365D+00  0.309791D+01 -0.264675D+01
                66            67            68            69            70 
      1   0.309791D+01  0.119081D+01 -0.878930D+00 -0.273448D+01  0.397352D+01
      2  -0.264675D+01 -0.878930D+00  0.226008D+01 -0.118972D+01 -0.382735D+01
      3  -0.387964D+00 -0.273448D+01 -0.118972D+01  0.176905D+01 -0.112026D+01
                71            72            73            74            75 
      1  -0.382735D+01 -0.112026D+01  0.438600D+01 -0.408288D+01 -0.341033D+01
      2  -0.118109D+01  0.271708D+01 -0.408288D+01  0.572023D+01  0.350863D+01
      3   0.271708D+01  0.263516D+00 -0.341033D+01  0.350863D+01  0.875552D+00
                76            77            78            79            80 
      1  -0.231120D+01  0.386319D+01  0.301602D+01 -0.234740D+01  0.226376D+01
      2   0.386319D+01 -0.375009D+01 -0.118792D+01  0.226376D+01 -0.139527D+01
      3   0.301602D+01 -0.118792D+01 -0.197683D+01  0.360843D+00 -0.252367D+01
                81            82            83            84            85 
      1   0.360843D+00 -0.842704D+00  0.880449D+00  0.109369D+01  0.161236D+01
      2  -0.252367D+01  0.880449D+00  0.102807D+01 -0.378765D+00  0.352210D+01
      3   0.388230D+00  0.109369D+01 -0.378765D+00  0.125606D+01 -0.905095D+00
                86            87            88            89            90 
      1   0.352210D+01 -0.905095D+00  0.395100D+00 -0.723831D+00  0.196777D+01
      2   0.100802D+02 -0.556653D+01 -0.723831D+00 -0.404398D+01  0.158355D+01
      3  -0.556653D+01  0.172235D+01  0.196777D+01  0.158355D+01  0.462566D+00
                91            92            93            94            95 
      1  -0.107709D+01 -0.407635D+00 -0.243814D+01 -0.607172D+00 -0.120165D+01
      2  -0.407635D+00 -0.160453D+00 -0.470037D+00 -0.120165D+01 -0.407532D+01
      3  -0.243814D+01 -0.470037D+00 -0.134421D+01 -0.562167D+00  0.427472D+01
                96            97            98            99           100 
      1  -0.562167D+00 -0.325360D+01 -0.265924D+00 -0.178127D+01  0.147339D+01
      2   0.427472D+01 -0.265924D+00  0.603508D+01 -0.235522D+01 -0.572293D+00
      3  -0.124287D+01 -0.178127D+01 -0.235522D+01  0.189430D+00  0.223930D+01
               101           102           103           104           105 
      1  -0.572293D+00  0.223930D+01 -0.109176D+01  0.187510D+01  0.116562D+01
      2   0.920001D+00  0.129580D+01  0.187510D+01 -0.323565D+01 -0.409566D+01
      3   0.129580D+01  0.160202D+01  0.116562D+01 -0.409566D+01 -0.882552D+00
               106           107           108           109           110 
      1   0.279345D+01  0.200945D+01  0.229562D+01 -0.706443D+00  0.251352D+01
      2   0.200945D+01 -0.555515D+01 -0.176368D+01  0.251352D+01 -0.251127D+01
      3   0.229562D+01 -0.176368D+01 -0.225783D+00 -0.306139D+00 -0.199423D+01
               111           112           113           114           115 
      1  -0.306139D+00  0.389865D+01 -0.474172D+01 -0.251187D+01  0.292001D+00
      2  -0.199423D+01 -0.474172D+01  0.750026D+01  0.492001D+01 -0.173130D+01
      3  -0.169775D+01 -0.251187D+01  0.492001D+01  0.140170D+01 -0.231633D+01
               116           117           118           119           120 
      1  -0.173130D+01 -0.231633D+01 -0.484598D+00 -0.919035D+00  0.333702D+00
      2   0.343173D+01  0.100081D+01 -0.919035D+00 -0.443395D+00  0.398587D+00
      3   0.100081D+01 -0.425161D+00  0.333702D+00  0.398587D+00 -0.277128D+00
               121           122           123           124           125 
      1  -0.148966D+01  0.480482D+00  0.109893D+00  0.799785D+00  0.249180D+00
      2   0.480482D+00 -0.499414D+01  0.166053D+01  0.249180D+00  0.272119D+01
      3   0.109893D+00  0.166053D+01 -0.145508D+01  0.234424D+00 -0.199419D+01
               126           127           128           129           130 
      1   0.234424D+00  0.642668D+01 -0.295152D+01 -0.222752D+01 -0.243921D+01
      2  -0.199419D+01 -0.295152D+01  0.248563D+01  0.128333D+01  0.254613D+01
      3   0.218636D+01 -0.222752D+01  0.128333D+01  0.165367D+01  0.123550D+01
               131           132           133           134           135 
      1   0.254613D+01  0.123550D+01 -0.346901D+01  0.241216D+01  0.259528D+01
      2  -0.325432D+01 -0.109743D+01  0.241216D+01 -0.180328D+01 -0.208395D+01
      3  -0.109743D+01 -0.113977D+01  0.259528D+01 -0.208395D+01 -0.269966D+01
               136           137           138           139           140 
      1   0.297124D+01  0.123898D+01 -0.729745D+00  0.229133D+01  0.121981D+01
      2   0.123898D+01  0.990494D+00 -0.519385D+00  0.121981D+01  0.290615D+01
      3  -0.729745D+00 -0.519385D+00  0.853038D+00 -0.772150D+00 -0.123735D+01
               141           142           143           144           145 
      1  -0.772150D+00 -0.148898D+01 -0.938954D+00  0.159094D+01  0.901065D+01
      2  -0.123735D+01 -0.938954D+00 -0.197486D+01  0.121350D+01 -0.113281D+01
      3   0.118980D+01  0.159094D+01  0.121350D+01 -0.217593D+01  0.291917D+01
               146           147           148           149           150 
      1  -0.113281D+01  0.291917D+01 -0.147721D+01  0.169677D+01 -0.596008D+00
      2   0.128461D+01 -0.545423D+00  0.169677D+01 -0.881680D+00  0.407063D+00
      3  -0.545423D+00  0.199809D+01 -0.596008D+00  0.407063D+00 -0.389729D+00
               151           152           153           154           155 
      1   0.505794D+01 -0.847495D+00  0.330717D+01  0.383047D+01  0.127742D+01
      2  -0.847495D+00  0.217859D+00 -0.382378D+00  0.127742D+01  0.224305D+01
      3   0.330717D+01 -0.382378D+00  0.267177D+01  0.156180D+01  0.592086D+00
               156           157           158           159           160 
      1   0.156180D+01  0.774980D+00  0.133931D+01  0.305498D+00  0.246242D+01
      2   0.592086D+00  0.133931D+01  0.165345D+01  0.480794D+00  0.684932D+00
      3   0.138945D+01  0.305498D+00  0.480794D+00  0.491893D+00  0.161488D+01
               161           162           163           164           165 
      1   0.684932D+00  0.161488D+01  0.282914D+00  0.156319D+01 -0.323478D+00
      2   0.106733D+01  0.120464D+01  0.156319D+01  0.210388D+00 -0.133766D+00
      3   0.120464D+01  0.219813D+01 -0.323478D+00 -0.133766D+00  0.177220D+00
               166           167           168           169           170 
      1   0.122382D+01  0.630462D+00 -0.169170D+00 -0.128736D+00 -0.503327D+00
      2   0.630462D+00  0.928285D+01 -0.301720D+01 -0.503327D+00 -0.517923D+01
      3  -0.169170D+00 -0.301720D+01  0.201710D+01  0.511248D+00  0.329271D+01
               171           172           173           174           175 
      1   0.511248D+00 -0.453903D+01  0.104659D+01 -0.167561D+01  0.332831D+00
      2   0.329271D+01  0.104659D+01 -0.191173D+01  0.235386D+00 -0.117523D+01
      3  -0.266058D+01 -0.167561D+01  0.235386D+00 -0.145010D+01 -0.724798D-02
               176           177           178           179           180 
      1  -0.117523D+01 -0.724798D-02 -0.270307D+01  0.261236D+00 -0.184973D+01
      2   0.558263D+00 -0.332282D+00  0.261236D+00 -0.790757D+00  0.767141D+00
      3  -0.332282D+00  0.147696D+00 -0.184973D+01  0.767141D+00 -0.217308D+01
               181           182           183           184           185 
      1  -0.151590D+01  0.194525D+01  0.542764D+00  0.173975D+01 -0.213699D+01
      2   0.194525D+01 -0.167843D+01 -0.792307D+00 -0.213699D+01  0.833610D+01
      3   0.542764D+00 -0.792307D+00 -0.687472D+00 -0.826943D+00  0.277129D+01
               186           187           188           189           190 
      1  -0.826943D+00  0.691910D+00 -0.166278D+01 -0.132944D+01 -0.417317D+01
      2   0.277129D+01 -0.166278D+01  0.455666D+01  0.304043D+01  0.882117D+00
      3   0.191462D+01 -0.132944D+01  0.304043D+01  0.266121D+01  0.115223D+01
               191           192           193           194           195 
      1   0.882117D+00  0.115223D+01  0.185929D+01 -0.103681D+01 -0.794517D+00
      2  -0.103427D+01 -0.531601D+00 -0.103681D+01  0.213708D+01  0.898120D+00
      3  -0.531601D+00 -0.110911D+01 -0.794517D+00  0.898120D+00  0.933878D+00
               196           197           198           199           200 
      1   0.197425D+01 -0.912386D+00 -0.182747D+01 -0.761464D+01 -0.238119D+01
      2  -0.912386D+00  0.145782D+01  0.782492D+00 -0.238119D+01 -0.180682D+01
      3  -0.182747D+01  0.782492D+00  0.219220D+01 -0.249675D+01 -0.109180D+01
               201           202           203           204           205 
      1  -0.249675D+01 -0.259560D+01 -0.228520D+01 -0.111599D+01 -0.432482D+01
      2  -0.109180D+01 -0.228520D+01 -0.226818D+01 -0.834188D+00 -0.190339D+01
      3  -0.182159D+01 -0.111599D+01 -0.834188D+00 -0.854019D+00 -0.309439D+01
               206           207           208           209           210 
      1  -0.190339D+01 -0.309439D+01  0.130125D+01 -0.876289D+00 -0.549460D+00
      2  -0.935419D+00 -0.120493D+01 -0.876289D+00  0.121916D+01  0.666362D+00
      3  -0.120493D+01 -0.269050D+01 -0.549460D+00  0.666362D+00  0.616008D+00
               211           212           213           214           215 
      1  -0.115817D+01  0.234062D+00  0.385355D+00 -0.102726D+01  0.680742D+00
      2   0.234062D+00 -0.490624D+01 -0.145685D+01  0.680742D+00 -0.240722D+01
      3   0.385355D+00 -0.145685D+01 -0.131256D+01  0.274664D+00 -0.197131D+01
               216           217           218           219           220 
      1   0.274664D+00 -0.428492D+01 -0.290563D+01  0.152199D+01 -0.235872D+01
      2  -0.197131D+01 -0.290563D+01 -0.288200D+01  0.134983D+01 -0.285781D+01
      3  -0.217718D+01  0.152199D+01  0.134983D+01 -0.130524D+01  0.131165D+01
               221           222           223           224           225 
      1  -0.285781D+01  0.131165D+01  0.208511D+01  0.241287D+01 -0.194281D+01
      2  -0.544525D+01  0.180200D+01  0.241287D+01  0.300065D+01 -0.262878D+01
      3   0.180200D+01 -0.152539D+01 -0.194281D+01 -0.262878D+01  0.267030D+01
               226           227           228           229           230 
      1   0.239683D+01 -0.248099D+00  0.228238D+00 -0.163058D+01  0.128405D+01
      2  -0.248099D+00  0.308914D+01 -0.202340D+01  0.128405D+01 -0.357105D+01
      3   0.228238D+00 -0.202340D+01  0.149018D+01 -0.990127D+00  0.133443D+01
               231           232           233           234           235 
      1  -0.990127D+00  0.319914D+00 -0.119117D+01  0.741704D+00 -0.131379D+01
      2   0.133443D+01 -0.119117D+01  0.652051D+00 -0.833677D+00 -0.242698D+00
      3  -0.126130D+01  0.741704D+00 -0.833677D+00  0.172459D+01  0.103823D+01
               236           237           238           239           240 
      1  -0.242698D+00  0.103823D+01  0.520522D+00  0.120789D+01 -0.890834D+00
      2  -0.168161D+00 -0.238614D+00  0.120789D+01  0.197365D+01 -0.321395D+00
      3  -0.238614D+00 -0.148759D+01 -0.890834D+00 -0.321395D+00  0.139093D+01
               241           242           243           244           245 
      1   0.120303D+01  0.153311D+00 -0.129320D+01 -0.190686D+01  0.147191D+01
      2   0.153311D+00  0.110421D+01 -0.228563D+00  0.147191D+01 -0.167718D+01
      3  -0.129320D+01 -0.228563D+00  0.556657D+01 -0.463451D+00  0.107914D+01
               246           247           248           249           250 
      1  -0.463451D+00  0.352080D+01 -0.801385D+00  0.209247D+01  0.258660D-01
      2   0.107914D+01 -0.801385D+00  0.309455D+01 -0.107328D+01  0.111066D+01
      3  -0.810645D+00  0.209247D+01 -0.107328D+01  0.176984D+01 -0.585553D+00
               251           252           253           254           255 
      1   0.111066D+01 -0.585553D+00  0.224795D+01  0.507680D+00  0.484564D+00
      2  -0.932068D+00  0.929350D+00  0.507680D+00 -0.300362D+00  0.447595D+00
      3   0.929350D+00 -0.169414D+01  0.484564D+00  0.447595D+00  0.920964D+00
               256           257           258           259           260 
      1  -0.104891D+01 -0.674206D+00 -0.196235D+00 -0.122385D+01 -0.161162D+00
      2  -0.674206D+00 -0.109611D+01 -0.124576D+01 -0.161162D+00 -0.111667D+01
      3  -0.196235D+00 -0.124576D+01 -0.181846D+01 -0.571752D+00 -0.118775D+01
               261           262           263           264           265 
      1  -0.571752D+00 -0.518995D+01  0.268940D+00  0.235636D+01 -0.609222D+00
      2  -0.118775D+01  0.268940D+00 -0.202667D+01 -0.225084D+00  0.998358D-01
      3  -0.558403D+01  0.235636D+01 -0.225084D+00 -0.183451D+01  0.827660D+00
               266           267           268           269           270 
      1   0.998358D-01  0.827660D+00  0.158440D+01  0.493818D+00 -0.107736D+01
      2  -0.155122D+01 -0.826243D+00  0.493818D+00 -0.670665D+00 -0.253891D+00
      3  -0.826243D+00 -0.684780D+00 -0.107736D+01 -0.253891D+00  0.170871D+01
               271           272           273           274           275 
      1   0.617461D+00 -0.882372D+00  0.509206D+00 -0.742670D-01  0.925276D+00
      2  -0.882372D+00  0.229466D+01  0.120028D+01  0.925276D+00  0.121772D+00
      3   0.509206D+00  0.120028D+01  0.195249D+01  0.531102D+00  0.252184D+00
               276           277           278           279           280 
      1   0.531102D+00  0.995442D+00 -0.470487D-01  0.428160D+00  0.483377D+01
      2   0.252184D+00 -0.470487D-01  0.135300D+01  0.126609D+01  0.932962D+00
      3   0.605896D+00  0.428160D+00  0.126609D+01  0.559321D+01 -0.228478D+01
               281           282           283           284           285 
      1   0.932962D+00 -0.228478D+01  0.644794D+00  0.422458D+00 -0.199972D-01
      2   0.267162D+01 -0.104102D+01  0.422458D+00 -0.841247D+00  0.725587D+00
      3  -0.104102D+01  0.192829D+01 -0.199972D-01  0.725587D+00 -0.167818D+00
               286           287           288           289           290 
      1  -0.170473D+01 -0.142451D+00  0.112279D+01 -0.383597D+00 -0.113280D+00
      2  -0.142451D+00  0.721217D+00  0.577286D-01 -0.113280D+00 -0.239166D+01
      3   0.112279D+01  0.577286D-01 -0.173200D+01 -0.934372D+00  0.985038D+00
               291           292           293           294           295 
      1  -0.934372D+00  0.313227D+00 -0.893735D+00  0.346655D+00 -0.100717D+01
      2   0.985038D+00 -0.893735D+00 -0.919876D+00  0.997446D-01  0.397472D-01
      3  -0.200211D+01  0.346655D+00  0.997446D-01  0.114850D+00 -0.736725D+00
               296           297           298           299           300 
      1   0.397472D-01 -0.736725D+00  0.336193D+00  0.108109D+01 -0.266410D+00
      2  -0.134681D+01  0.108783D+01  0.108109D+01  0.142381D+01  0.741825D+00
      3   0.108783D+01 -0.558480D+01 -0.266410D+00  0.741825D+00  0.349795D+00
               301           302           303           304           305 
      1   0.336002D+01  0.110230D+01  0.177277D+01 -0.467250D+00  0.760935D+00
      2   0.110230D+01  0.400759D+01  0.180389D+01  0.760935D+00  0.141504D+01
      3   0.177277D+01  0.180389D+01  0.194142D+01  0.364828D+00  0.106660D+01
               306           307           308           309           310 
      1   0.364828D+00 -0.192743D+01 -0.330811D+00 -0.426929D+00 -0.191646D+01
      2   0.106660D+01 -0.330811D+00  0.544385D+00  0.846235D-02  0.517753D+00
      3   0.172420D+01 -0.426929D+00  0.846235D-02 -0.446840D+00 -0.650506D+00
               311           312           313           314           315 
      1   0.517753D+00 -0.650506D+00  0.129560D+01 -0.126169D+00  0.861248D+00
      2  -0.632732D+00  0.120232D+01 -0.126169D+00  0.104408D+01 -0.100755D+01
      3   0.120232D+01 -0.199288D+01  0.861248D+00 -0.100755D+01  0.558023D+01
               316           317           318           319           320 
      1  -0.192832D+01  0.113771D+00  0.427481D+00 -0.163509D+01 -0.649143D+00
      2   0.113771D+00 -0.200618D+01 -0.156244D+01 -0.649143D+00 -0.472350D+01
      3   0.427481D+00 -0.156244D+01 -0.110699D+01 -0.558656D+00 -0.199358D+01
               321           322           323           324           325 
      1  -0.558656D+00  0.251659D+00 -0.961230D+00 -0.489924D+00  0.102061D+01
      2  -0.199358D+01 -0.961230D+00 -0.120163D+01 -0.984873D+00  0.390940D+00
      3  -0.159177D+01 -0.489924D+00 -0.984873D+00 -0.170608D+01 -0.704369D+00
               326           327           328           329           330 
      1   0.390940D+00 -0.704369D+00  0.148354D+01 -0.131780D+01 -0.112799D+01
      2  -0.179976D+00 -0.479530D+00 -0.131780D+01  0.125920D+01 -0.705561D-01
      3  -0.479530D+00  0.110128D+01 -0.112799D+01 -0.705561D-01  0.170319D+01
               331           332           333 
      1  -0.129258D+01  0.116358D+00  0.131744D+01
      2   0.116358D+00 -0.104013D+01  0.996371D-01
      3   0.131744D+01  0.996371D-01 -0.558119D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.496020D+01 -0.606003D+01 -0.393290D+01 -0.745625D+01  0.376814D+01
      2   0.602020D+01  0.547362D+01  0.607456D+01  0.591631D+01 -0.443855D+01
      3   0.342766D+01 -0.587820D+01  0.130243D+01 -0.317392D+00  0.350228D+01
                 6             7             8             9            10 
      1   0.138955D+01 -0.505216D+01  0.273889D+01  0.190432D+01 -0.771095D+00
      2  -0.162053D+01  0.270195D+01  0.306822D+00 -0.177066D+01 -0.416635D+00
      3   0.993017D+01 -0.672810D+00  0.139069D+02  0.497760D+01 -0.163780D+01
                11            12            13            14            15 
      1   0.521503D+01 -0.160191D+00  0.526173D+01  0.197580D+01 -0.491324D+01
      2  -0.105435D+02 -0.342610D+00 -0.892983D+01 -0.135502D+01  0.563560D+01
      3   0.508136D-01  0.990749D+01  0.507508D+01 -0.528374D+01 -0.163974D+01
                16            17            18            19            20 
      1  -0.121045D+01 -0.871504D+00 -0.115643D+01  0.276101D+01 -0.110549D+02
      2  -0.116288D+01  0.587969D+01  0.217344D+01  0.243765D+02  0.447453D+01
      3   0.129786D+02 -0.427600D+01 -0.491689D+01 -0.102378D+02  0.931915D+01
                21            22            23            24            25 
      1   0.472492D+01 -0.220947D+02 -0.205689D+01 -0.121343D+02  0.402247D+01
      2   0.965718D+00 -0.236114D+01  0.710597D+00 -0.834409D+01 -0.319029D+02
      3  -0.716229D+01  0.357629D+02  0.627418D+01  0.146419D+02 -0.132761D+01
                26            27            28            29            30 
      1  -0.235262D+00 -0.893798D-01 -0.589373D+00  0.301081D+00 -0.143458D+00
      2  -0.111097D+02 -0.224123D+02  0.616861D+00  0.228598D+00 -0.832612D+01
      3   0.737315D+01  0.363749D+01  0.521712D+00  0.162244D+02  0.221955D+00
                31            32            33            34            35 
      1   0.133983D+00  0.107817D+00  0.859982D+01 -0.121466D+00 -0.215444D+02
      2   0.242417D+00 -0.525075D+00 -0.981126D-01  0.217992D+02 -0.161168D+00
      3  -0.163339D+02  0.226950D+00  0.257744D+00  0.325561D+00  0.131338D+00
                36            37            38            39            40 
      1  -0.215636D+00  0.196382D+00 -0.142916D+01  0.101754D+02  0.803214D+01
      2   0.528355D-01 -0.105529D+02 -0.188320D+02  0.803042D+01 -0.999595D+01
      3   0.208505D+00 -0.165993D+02 -0.283936D+02  0.121565D+02 -0.195067D+01
                41            42            43            44            45 
      1   0.241844D+02 -0.507585D+01  0.184211D+02  0.259485D+02 -0.217190D+02
      2   0.452605D+01 -0.663924D+01 -0.593718D+01 -0.113381D+02  0.588372D+01
      3   0.205231D+02 -0.107199D+02  0.668747D+01 -0.327044D+01 -0.360671D+01
                46            47            48            49            50 
      1   0.167343D+00 -0.997802D+01 -0.910707D+00 -0.224264D+02 -0.659162D+01
      2   0.237254D+02 -0.125973D+01 -0.158118D+01  0.263480D+01  0.771260D-02
      3  -0.255608D+01  0.103700D+02  0.297143D+01  0.368240D+02  0.581475D+01
                51            52            53            54            55 
      1  -0.146174D+02  0.498701D+01 -0.191190D+01  0.585989D+01 -0.671293D+00
      2   0.467341D+01 -0.339494D+02  0.235873D+01 -0.217422D+02 -0.597607D+01
      3   0.159045D+02 -0.791912D+00  0.738048D+01 -0.380083D+01  0.418885D+00
                56            57            58            59            60 
      1   0.267125D+01  0.102513D+01  0.315965D+01 -0.317037D+00 -0.315340D+01
      2   0.107619D+02  0.112854D+01  0.935919D+01  0.345375D+01 -0.644608D+01
      3  -0.107987D+01 -0.932093D+01  0.394097D+01  0.607401D+01 -0.406045D+01
                61            62            63            64            65 
      1   0.135502D+01  0.921406D+00  0.558104D+00  0.561842D+01 -0.259566D+01
      2   0.899987D+00 -0.605795D+01  0.241855D+01  0.103790D+02 -0.318657D+01
      3  -0.117785D+02 -0.752296D+01  0.494793D+01 -0.191184D+01 -0.525946D+01
                66            67            68            69            70 
      1   0.199174D+01 -0.386886D+01 -0.461522D+01  0.169402D+01  0.329136D+01
      2   0.617848D+01 -0.372978D+01 -0.794819D+01  0.377590D+01  0.366978D+01
      3  -0.369872D+01 -0.365237D+00 -0.480241D+01  0.945307D+01 -0.297701D+01
                71            72            73            74            75 
      1   0.383259D+01 -0.125065D+01  0.963715D+00  0.577441D+00 -0.989678D+01
      2   0.161230D+01 -0.195237D+01 -0.170054D+02  0.139276D+02  0.369305D+01
      3   0.137124D+02 -0.514158D+01  0.217444D+02 -0.173146D+02 -0.909243D+01
                76            77            78            79            80 
      1   0.120020D+02 -0.230188D+02 -0.942327D+01 -0.213899D+02  0.172888D+02
      2   0.773572D+01  0.487887D+01  0.626924D+01 -0.144859D+02  0.141584D+02
      3   0.911878D+01 -0.255006D+02 -0.135015D+02 -0.563950D+01 -0.476228D+01
                81            82            83            84            85 
      1   0.194090D+02 -0.181083D+01  0.347563D+01 -0.115298D+00  0.312515D+01
      2   0.110495D+02 -0.145228D+02 -0.202170D+02  0.149017D+02 -0.729720D+01
      3   0.371388D+01 -0.173784D+02 -0.316194D+02  0.161465D+02 -0.518447D+01
                86            87            88            89            90 
      1   0.231851D+02  0.173802D+01  0.668430D+01  0.305070D+02 -0.194215D+02
      2   0.146207D+01 -0.343974D+01 -0.114921D+01 -0.136530D+02  0.111747D+02
      3   0.135351D+02 -0.121772D+01  0.707868D+01 -0.242561D+01  0.348143D+01
                91            92            93            94            95 
      1   0.802237D+01  0.607713D+01  0.667046D+01  0.732604D+01 -0.102073D+02
      2  -0.952180D+00  0.939964D+00  0.110153D+01  0.249822D+00  0.714017D+00
      3  -0.638133D+01 -0.256342D+01 -0.627556D+01  0.268610D+01 -0.242432D+00
                96            97            98            99           100 
      1  -0.325177D+01  0.511669D+01 -0.258080D+01  0.280916D+01 -0.961827D+01
      2  -0.977473D+00 -0.271304D+01 -0.354324D+00 -0.145712D+00 -0.304147D+01
      3  -0.792661D+01 -0.106218D+02 -0.935527D+01 -0.496645D+01  0.576569D+01
               101           102           103           104           105 
      1   0.973664D+00 -0.554931D+01  0.198251D+01  0.119282D+02 -0.490995D+01
      2  -0.118477D+01 -0.634186D+00 -0.551358D-01  0.336899D+01  0.394261D-01
      3  -0.854499D+00  0.817166D+01  0.421242D+01  0.771990D+00 -0.594907D+01
               106           107           108           109           110 
      1  -0.344593D+01 -0.361958D+01 -0.247476D+01  0.377984D+01  0.519229D+01
      2  -0.366252D+01 -0.126210D+01 -0.746881D+00 -0.198509D+02  0.163452D+02
      3   0.126780D+02 -0.647060D+01  0.495168D+01  0.243150D+02 -0.216758D+02
               111           112           113           114           115 
      1  -0.375714D+01  0.811189D+01 -0.211723D+02 -0.127861D+00 -0.126270D+02
      2   0.130939D+02  0.358625D+01  0.201514D+01  0.740460D+01 -0.824194D+01
      3  -0.153592D+02  0.499153D+01 -0.207874D+02 -0.537900D+01 -0.615730D+01
               116           117           118           119           120 
      1   0.237757D+02  0.160046D+02  0.103506D+01  0.116373D+01 -0.156318D+01
      2   0.198797D+02  0.159713D+02  0.888899D+00  0.140032D+01 -0.555443D+00
      3  -0.440362D+01 -0.369531D+01  0.591204D+01  0.336232D+01 -0.237935D+01
               121           122           123           124           125 
      1   0.492897D+00  0.487268D+01 -0.503712D+01  0.134305D+00 -0.395176D+01
      2   0.831070D+00  0.530320D+01 -0.387009D+01 -0.166249D+01 -0.530629D+01
      3   0.403273D+01  0.129864D+02 -0.546562D+01 -0.387198D+01 -0.872748D+01
               126           127           128           129           130 
      1   0.633320D+01 -0.271152D+01  0.154552D+01  0.323257D+01  0.823615D+00
      2   0.704020D+01 -0.252456D+01  0.266908D+01  0.495888D+01  0.122257D+01
      3   0.518958D+01 -0.475853D+01 -0.244416D+01  0.540669D+00 -0.753903D+00
               131           132           133           134           135 
      1  -0.232394D+00 -0.262281D+01  0.218283D+01 -0.631690D+00 -0.435198D+01
      2  -0.130683D+01 -0.329750D+01  0.859159D+00 -0.217052D+01 -0.617405D+01
      3   0.412290D+01  0.820740D+00  0.359013D+01 -0.494247D+00  0.257109D+00
               136           137           138           139           140 
      1   0.105987D+00 -0.257436D+00 -0.900926D-01 -0.186494D+00 -0.334305D+00
      2  -0.277209D+01 -0.247596D+01  0.352536D+01 -0.325368D+01 -0.558183D+01
      3  -0.568860D+01 -0.396196D+01  0.220086D+01 -0.326798D+01 -0.130417D+02
               141           142           143           144           145 
      1  -0.102722D+01 -0.224303D+00  0.157726D+01 -0.537600D+00  0.891656D+00
      2   0.532271D+01  0.401431D+01  0.522195D+01 -0.934226D+01  0.472758D+01
      3   0.550528D+01  0.338897D+01  0.874744D+01 -0.503065D+01 -0.130103D+01
               146           147           148           149           150 
      1   0.721818D+00  0.127735D+01  0.211560D+00 -0.258374D+00 -0.571389D+00
      2  -0.506590D+00  0.722176D+01 -0.200767D+01  0.139882D+00 -0.132664D+01
      3  -0.528832D+01 -0.280347D+00 -0.365472D+01  0.204010D+01 -0.936131D+00
               151           152           153           154           155 
      1   0.133772D+00  0.141649D+01  0.127492D+01 -0.684185D+01 -0.219867D+01
      2   0.287813D+01 -0.206374D+00  0.728385D+01  0.141523D+01  0.553089D+00
      3   0.285951D+01 -0.216646D+01 -0.195195D+00  0.144160D+02  0.838608D+00
               156           157           158           159           160 
      1  -0.569273D+01 -0.134260D+01 -0.167220D+01 -0.184108D+01 -0.640705D+01
      2   0.261912D+01  0.238271D+00  0.615757D+00  0.286520D+00  0.201685D+00
      3   0.596275D+01  0.146644D+01  0.470399D+01  0.622952D+00  0.956591D+01
               161           162           163           164           165 
      1  -0.211238D+01 -0.934097D+01 -0.680920D-01 -0.450654D+00 -0.671742D+00
      2   0.123377D+01  0.198941D+01  0.795491D-01  0.679891D+00  0.331370D+00
      3   0.903553D+00  0.518191D+01  0.476163D+00  0.411761D+01 -0.113762D+01
               166           167           168           169           170 
      1   0.992235D+00  0.495601D+01 -0.734752D+01 -0.942045D+00 -0.264155D+01
      2   0.697944D+00 -0.743849D+00  0.586754D+00 -0.121266D+01  0.973202D+00
      3   0.553581D+01 -0.108578D+01  0.850334D-02 -0.135411D+01  0.333136D+01
               171           172           173           174           175 
      1   0.726695D+01  0.661291D+01 -0.525959D+00  0.503860D+01  0.157395D+00
      2  -0.673025D+00  0.332943D+01 -0.406602D+00  0.398766D+01  0.152017D-01
      3   0.221504D+00 -0.141824D+02 -0.170744D+01 -0.588461D+01 -0.118100D+01
               176           177           178           179           180 
      1   0.931148D+00 -0.523552D+00  0.630302D+01 -0.207881D+00  0.837871D+01
      2   0.749886D+00  0.194687D+00  0.216171D+01 -0.126469D+01  0.419821D+01
      3  -0.458783D+01 -0.908039D+00 -0.943728D+01 -0.141115D+01 -0.506694D+01
               181           182           183           184           185 
      1  -0.329041D+00  0.778456D+00  0.228509D+01  0.229076D+01 -0.417688D+01
      2   0.256330D+00 -0.127396D+00  0.114443D+01  0.173566D+00 -0.212979D+01
      3  -0.261224D+01  0.296391D+01  0.931747D+00  0.457044D+01  0.321195D+01
               186           187           188           189           190 
      1  -0.666025D+01  0.179116D+01 -0.197720D+01 -0.692448D+01  0.119654D+01
      2  -0.223637D+01 -0.468877D+00 -0.181034D+01 -0.251226D+01 -0.439666D+01
      3   0.213253D+00  0.442279D+00  0.354712D+01 -0.246576D+00  0.791241D+01
               191           192           193           194           195 
      1  -0.986634D+00 -0.836170D+00 -0.115662D+01  0.130543D+01  0.167110D+00
      2   0.240613D+01  0.454518D+01  0.325811D+01 -0.389553D+01 -0.444323D+01
      3  -0.509076D+01 -0.339977D+01 -0.458420D+01  0.111917D+02  0.482742D+01
               196           197           198           199           200 
      1  -0.146006D+01  0.254639D+01  0.290714D+01 -0.196003D+01 -0.364500D-01
      2   0.490979D+01 -0.361320D+01 -0.901027D+01  0.341222D+01  0.151429D+01
      3  -0.540321D+01  0.750017D+01  0.509435D+01  0.335656D+01 -0.380752D+01
               201           202           203           204           205 
      1  -0.265875D+01 -0.826190D+00  0.198501D+00 -0.160540D+01 -0.120286D+01
      2   0.598650D+01  0.264785D+01  0.104756D+01  0.268919D+01  0.250916D+01
      3   0.487667D+00 -0.219270D+01 -0.402652D+01 -0.816590D+00 -0.209801D+01
               206           207           208           209           210 
      1   0.999815D+00 -0.314424D+01 -0.207479D+01  0.243074D+01  0.300063D+01
      2   0.128567D+01  0.683450D+01  0.127700D+01 -0.168797D+01 -0.738601D+00
      3  -0.278011D+01  0.198039D+00 -0.826642D+01  0.454782D+01  0.364128D+01
               211           212           213           214           215 
      1   0.166122D+01 -0.516772D+01 -0.512350D+01  0.154288D+01 -0.490945D+01
      2  -0.132564D+01  0.323551D+01  0.230904D+01 -0.255608D+01  0.352857D+01
      3   0.510371D+01 -0.108429D+02 -0.461680D+01  0.585674D+01 -0.730578D+01
               216           217           218           219           220 
      1  -0.786572D+01  0.214074D+01  0.244203D+01 -0.345580D+01  0.141262D+01
      2   0.516587D+01 -0.672440D+00 -0.189045D+01  0.322051D+01 -0.875458D+00
      3  -0.510498D+01  0.527293D+01  0.134208D+00 -0.801374D+00  0.140382D+01
               221           222           223           224           225 
      1   0.147595D+01 -0.433832D+01 -0.200934D+01 -0.171357D+01  0.569926D+01
      2  -0.206735D+01  0.348422D+01 -0.150999D+00  0.198766D+01 -0.479272D+01
      3  -0.456969D+01  0.856745D+00 -0.324417D+01 -0.128376D+01 -0.256588D+00
               226           227           228           229           230 
      1   0.662423D+00  0.483423D+01 -0.589412D-01  0.105437D+01 -0.135381D+01
      2  -0.569919D+01  0.541593D+01 -0.269478D+01  0.363356D+01 -0.352367D+01
      3  -0.716975D+01  0.773170D+01 -0.461979D+01  0.572454D+01 -0.518445D+01
               231           232           233           234           235 
      1  -0.126973D+01  0.135832D+01 -0.681718D+00  0.103035D+01  0.200502D+01
      2   0.276806D+01 -0.257284D+01  0.129513D+01 -0.237136D+01  0.568372D+00
      3   0.282045D+01 -0.116182D+01  0.113172D+01 -0.285798D+01  0.154346D+01
               236           237           238           239           240 
      1  -0.138511D+01 -0.343245D+01 -0.308246D+01 -0.307630D+01  0.609196D+01
      2   0.173328D+00  0.577170D+00 -0.155730D+01 -0.152189D+01 -0.857019D-01
      3  -0.154548D+01 -0.191746D+01 -0.230481D+01 -0.352010D+01  0.308326D+01
               241           242           243           244           245 
      1  -0.271294D+01  0.114004D+01  0.114878D+02 -0.135427D+01  0.267604D+01
      2  -0.162550D+01 -0.113181D+00 -0.276004D+01  0.590034D+00  0.464684D+00
      3  -0.232091D+01 -0.187001D+00  0.249602D+01  0.199730D+01 -0.425429D+01
               246           247           248           249           250 
      1  -0.158322D+01  0.546102D+01 -0.773242D+01  0.319233D+01 -0.432198D+00
      2   0.168115D+01  0.361173D+01  0.111007D+01 -0.113608D+01  0.478502D+00
      3   0.156419D+01 -0.636261D+01  0.103344D+02 -0.525978D+01  0.790057D+00
               251           252           253           254           255 
      1   0.231752D+01 -0.198547D+01 -0.268802D+01 -0.127566D+01 -0.136682D+01
      2  -0.221642D+01  0.158584D+01 -0.318175D+01 -0.110876D+01 -0.471193D+01
      3  -0.137031D+01  0.285125D+01  0.412673D+01  0.694879D+00  0.242543D+01
               256           257           258           259           260 
      1   0.902249D+00  0.157382D+01  0.769110D+00  0.422342D+00  0.225327D+01
      2  -0.134005D-01  0.248516D+01  0.491890D+01 -0.597776D+00  0.236622D+01
      3  -0.806561D-01 -0.218887D+01 -0.271218D+01 -0.789292D+00 -0.221374D+01
               261           262           263           264           265 
      1   0.401384D+00 -0.519110D+01 -0.261258D+01  0.379641D+01 -0.229193D+01
      2   0.118073D+02  0.697395D+01 -0.145020D-01 -0.945014D+00  0.418836D+01
      3  -0.247170D+01 -0.114688D+02 -0.315363D+01  0.478216D+01 -0.520467D+01
               266           267           268           269           270 
      1  -0.232787D+01  0.527462D+00  0.277554D+01  0.179862D+01 -0.256676D+01
      2  -0.179537D+01 -0.110876D+01 -0.417375D-01 -0.108264D+00  0.313197D+00
      3  -0.739524D+00  0.266018D+01  0.159001D+01  0.443116D+00 -0.288743D+01
               271           272           273           274           275 
      1  -0.432261D+00 -0.198783D+00 -0.377651D+01 -0.889284D+00  0.526978D-01
      2  -0.907408D-02 -0.458824D+01 -0.586351D+01 -0.228412D+01  0.129081D+01
      3  -0.557262D+00  0.347848D+01  0.360112D+01  0.277243D+01 -0.137360D+01
               276           277           278           279           280 
      1  -0.341749D+00 -0.522041D+00  0.423080D+00 -0.809460D+01  0.413167D+01
      2   0.246792D+00 -0.236082D+01 -0.234004D+01 -0.859181D+01  0.871127D+01
      3   0.153293D+00  0.971819D+00  0.217904D+01  0.249786D+01  0.127382D+02
               281           282           283           284           285 
      1  -0.217031D+01 -0.334228D+01 -0.776410D+00  0.188779D+01 -0.667836D+00
      2   0.193738D+01 -0.211662D+01 -0.200042D+01 -0.181987D+01  0.644733D+00
      3   0.431808D-01 -0.527494D+01 -0.196890D+01 -0.612268D+00  0.131392D+01
               286           287           288           289           290 
      1  -0.302523D+01  0.974962D+00  0.241140D+01  0.102871D+01 -0.101470D+01
      2  -0.911450D+00  0.311901D+00  0.950894D+00 -0.131790D+01  0.373337D+01
      3  -0.169651D+01 -0.121799D-01  0.291264D+01 -0.858298D+00  0.290190D+01
               291           292           293           294           295 
      1   0.496148D+01 -0.109326D+01 -0.102790D+01  0.105341D+01  0.111494D+01
      2  -0.442465D+01  0.137536D+01  0.268262D+01 -0.142770D+01 -0.265824D+01
      3  -0.350593D+01  0.218167D+01  0.282238D+01 -0.720572D+00 -0.149304D+01
               296           297           298           299           300 
      1   0.198871D+00  0.998854D+01 -0.715084D+00  0.588592D+00  0.369681D+00
      2   0.167575D+01 -0.619710D+01  0.152311D+01 -0.118823D+00  0.152306D+01
      3   0.180752D+01 -0.245591D+01  0.964882D-01 -0.150248D+01 -0.193730D+00
               301           302           303           304           305 
      1   0.403944D+01  0.909827D+01  0.290224D+01 -0.274483D-01  0.165823D+01
      2  -0.254808D+01  0.244768D+01  0.239849D+01 -0.134688D+00  0.276455D+01
      3  -0.346088D+01 -0.125010D+02 -0.540061D+01 -0.526730D+00 -0.150466D+01
               306           307           308           309           310 
      1   0.160272D+01  0.314973D+01 -0.183575D+00  0.188864D+01  0.216644D+01
      2   0.205522D+01 -0.223128D+01 -0.320240D+00 -0.295212D+01 -0.910531D+00
      3  -0.291691D+01 -0.378803D+01 -0.802618D+00 -0.167842D+01 -0.155960D+01
               311           312           313           314           315 
      1  -0.194220D+01  0.256190D+01 -0.100987D+01  0.263074D+01 -0.337206D+01
      2   0.204180D+01 -0.547638D+01 -0.172554D+00 -0.183169D+01  0.112968D+02
      3   0.198797D+01 -0.322792D+01  0.136126D+01 -0.192513D+01  0.249486D+01
               316           317           318           319           320 
      1  -0.113912D+01  0.511026D+01  0.948149D+00  0.101795D+01  0.398129D+01
      2  -0.365911D+01 -0.421255D+01 -0.177821D+01 -0.334751D+01 -0.502808D+01
      3   0.359819D+01  0.731509D+01  0.384176D+01  0.522503D+01  0.855519D+01
               321           322           323           324           325 
      1  -0.297254D+00 -0.482619D+00 -0.506270D+00 -0.400732D+00 -0.543257D+00
      2  -0.359588D+01 -0.239368D+01 -0.209549D+01 -0.251151D+01 -0.657282D-01
      3   0.396685D+01  0.870982D+00  0.140389D+01  0.278696D+01 -0.271513D+00
               326           327           328           329           330 
      1  -0.236059D+01  0.160828D+01 -0.435025D+01  0.178490D+01  0.641705D+01
      2  -0.403702D+00  0.952728D+00  0.874723D+00 -0.606235D+00  0.192134D+01
      3  -0.252020D+01  0.111268D+01 -0.324562D+01  0.219953D+01  0.343535D+01
               331           332           333 
      1   0.265345D+01  0.177234D+01 -0.104032D+02
      2  -0.101248D+01  0.184699D+00 -0.555618D+01
      3   0.232755D+01  0.369568D+00 -0.248195D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.280230D+01 -0.280298D+01 -0.887646D+00 -0.657256D+00  0.552444D+01
      2  -0.356991D+01 -0.700593D+00  0.128247D+02  0.137801D+00 -0.122654D+02
      3   0.767604D+00  0.350358D+01 -0.119370D+02  0.519456D+00  0.674101D+01
      4  -0.680366D+01 -0.131472D+02  0.171471D+02 -0.859346D+01 -0.138071D+02
      5   0.685711D+01  0.137322D+02 -0.342855D+01  0.136563D+02  0.519031D+01
      6   0.893647D+01  0.168444D+02 -0.105202D+01  0.166647D+02  0.684969D+00
                 6             7             8             9            10 
      1   0.149833D+02 -0.439219D+01  0.155245D+02  0.751957D+01 -0.203749D+02
      2  -0.948390D+01  0.148716D+02 -0.109274D+02 -0.113277D+02  0.129276D+02
      3  -0.549936D+01 -0.104794D+02 -0.459707D+01  0.380810D+01  0.744738D+01
      4   0.139608D+02  0.195252D+02  0.183147D+02 -0.830974D+01 -0.124259D+02
      5  -0.823434D+01 -0.311234D+01 -0.101981D+02  0.188868D+01 -0.127936D+02
      6  -0.101844D+02 -0.269154D+01 -0.154289D+02  0.132408D+01 -0.937665D+01
                11            12            13            14            15 
      1  -0.796161D+00 -0.481381D+01 -0.522032D+01 -0.447485D+01 -0.202615D+02
      2   0.188192D+01 -0.361728D+01  0.299578D+01  0.434961D+01  0.102038D+02
      3  -0.108576D+01  0.843109D+01  0.222454D+01  0.125238D+00  0.100577D+02
      4  -0.579696D+01 -0.206717D+02 -0.999611D+01  0.936095D+00 -0.582499D+01
      5  -0.192142D+02 -0.122136D+02 -0.193825D+02  0.608948D+00  0.118793D+01
      6  -0.745432D+01 -0.592352D+01 -0.748037D+01  0.310766D+00 -0.155214D+01
                16            17            18            19            20 
      1  -0.744545D+01 -0.227696D+02 -0.145225D+02  0.758465D+01  0.205746D+01
      2  -0.157816D+00  0.138366D+02  0.104905D+02 -0.542401D+01 -0.613520D+01
      3   0.760327D+01  0.893305D+01  0.403198D+01 -0.216064D+01  0.407774D+01
      4  -0.252865D+02 -0.564448D+01 -0.275917D+01  0.159845D+02  0.739234D+00
      5  -0.183834D+02  0.946830D+00 -0.183223D+01  0.972766D+01  0.116878D+02
      6  -0.648123D+01 -0.874064D+00 -0.150698D+01  0.378312D+01 -0.728884D+00
                21            22            23            24            25 
      1   0.302980D+01  0.491100D+01 -0.322685D+01  0.114960D+02 -0.987166D+00
      2  -0.209277D+01 -0.587643D+01  0.319804D+01 -0.190294D+01 -0.795365D+00
      3  -0.937022D+00  0.965430D+00  0.288162D-01 -0.959302D+01  0.178253D+01
      4   0.134155D+02  0.471283D+01  0.703199D+01  0.103098D+01  0.753049D+01
      5   0.724749D+01  0.107390D+02 -0.404754D+01  0.162746D+01  0.434335D+01
      6   0.438214D+01 -0.153180D+01  0.152221D+01 -0.180297D+01  0.246271D+01
                26            27            28            29            30 
      1   0.105120D+02  0.669412D+01 -0.139017D+02 -0.335702D-01  0.505917D+01
      2  -0.324677D+01  0.183334D+00  0.310334D+01  0.637090D-01 -0.504088D+01
      3  -0.726519D+01 -0.687745D+01  0.107983D+02 -0.301388D-01 -0.182820D-01
      4  -0.281474D+00  0.672502D-01 -0.271264D-01 -0.849964D+01  0.199478D+01
      5  -0.611950D+00 -0.280171D+01  0.249821D+01  0.101842D+01 -0.353489D+01
      6  -0.133038D+01 -0.531123D+01  0.992902D+00 -0.254571D+01  0.205669D-01
                31            32            33            34            35 
      1  -0.177457D-01  0.301599D+01  0.204988D+01  0.749352D+01  0.305616D+01
      2   0.338917D-01 -0.137374D+02 -0.204120D+01 -0.747935D+01 -0.303732D+01
      3  -0.161461D-01  0.107214D+02 -0.867785D-02 -0.141694D-01 -0.188384D-01
      4  -0.846581D+01  0.608717D-01 -0.504842D+01  0.303372D+01 -0.748722D+01
      5   0.975297D+00 -0.253528D+01  0.209770D-01  0.343601D+01  0.226627D-01
      6  -0.256265D+01 -0.109772D+01 -0.349708D+01 -0.562939D-02  0.342533D+01
                36            37            38            39            40 
      1   0.120570D+01  0.423292D+01 -0.285617D+01 -0.910146D+00 -0.535174D+01
      2   0.118555D+01 -0.537835D+01  0.285674D+01 -0.853268D+01  0.220197D+01
      3  -0.239124D+01  0.114543D+01 -0.567070D-03  0.944283D+01  0.314977D+01
      4   0.234813D-01  0.780309D+01  0.936558D+01 -0.758331D+01  0.537728D+01
      5  -0.137037D-01 -0.178862D+01 -0.257124D+01  0.498035D+00 -0.366580D+01
      6  -0.370169D-01 -0.227338D+01 -0.124222D+02  0.356710D+01 -0.130853D+02
                41            42            43            44            45 
      1   0.580227D+01 -0.499121D+01  0.150285D+01 -0.371636D+01  0.754553D+00
      2  -0.239171D+01  0.665156D+01 -0.817482D+01  0.723691D+01  0.618653D+01
      3  -0.341056D+01 -0.166035D+01  0.667197D+01 -0.352055D+01 -0.694108D+01
      4   0.137445D+02 -0.112192D+02 -0.495883D+01 -0.550478D+01  0.174448D+01
      5  -0.484753D+01  0.626047D+01 -0.455076D+00  0.381018D+01  0.581763D+01
      6  -0.188797D+01  0.511372D+01  0.796015D+00  0.338395D+01  0.134912D+01
                46            47            48            49            50 
      1   0.159945D+02  0.211646D+01  0.117783D+02 -0.265682D+01 -0.453827D+00
      2  -0.149771D+02  0.225359D+01 -0.844901D+01  0.377239D+01  0.187610D+01
      3  -0.101742D+01 -0.437005D+01 -0.332933D+01 -0.111557D+01 -0.142227D+01
      4  -0.104418D+02 -0.204766D+01 -0.945336D+01  0.827254D+00 -0.794631D+01
      5   0.145977D+02 -0.634243D+01  0.809161D+01 -0.518116D+01 -0.783570D+01
      6   0.729836D+00 -0.281427D+01 -0.180332D+01 -0.340663D+01 -0.426009D+01
                51            52            53            54            55 
      1  -0.836809D+01  0.525224D+01 -0.862492D+01  0.617805D+01 -0.251170D+02
      2  -0.553232D+00 -0.489316D+01  0.108751D+01  0.697017D+00  0.183421D+02
      3   0.892132D+01 -0.359076D+00  0.753741D+01 -0.687507D+01  0.677489D+01
      4  -0.500861D+01 -0.561030D+01 -0.526036D+01  0.150174D+01  0.547698D+01
      5   0.796403D+00  0.422470D+01  0.200199D+01 -0.411804D+01 -0.243434D+02
      6  -0.266443D+01 -0.999688D+00 -0.147514D+01  0.437330D+01  0.659288D+01
                56            57            58            59            60 
      1  -0.196477D+01 -0.203040D+02  0.337161D+01 -0.167272D+01  0.168690D+02
      2  -0.819388D+00  0.934171D+01 -0.314682D+01  0.130030D+01 -0.921021D+01
      3   0.278416D+01  0.109623D+02 -0.224788D+00  0.372426D+00 -0.765882D+01
      4  -0.233033D+01  0.167178D+02 -0.462968D+01 -0.508928D+01  0.676323D+01
      5   0.142338D+02 -0.129565D+02  0.144220D+02  0.967607D+01 -0.393261D+01
      6  -0.640944D+00  0.309129D+01 -0.571386D+00 -0.965724D+00 -0.111561D+01
                61            62            63            64            65 
      1  -0.248652D+02  0.178492D+02 -0.142764D+02 -0.468001D+01  0.865428D+01
      2   0.150450D+02 -0.109758D+02  0.102841D+02  0.243751D+01 -0.396709D+01
      3   0.982018D+01 -0.687339D+01  0.399220D+01  0.224250D+01 -0.468720D+01
      4   0.189077D+02  0.916111D+01 -0.385224D+01  0.128391D+02 -0.122535D+02
      5  -0.185982D+02 -0.569165D+01 -0.218655D+01  0.176000D+02 -0.148661D+02
      6   0.182415D+01 -0.580973D+00  0.989244D+00 -0.129838D+02  0.967535D+01
                66            67            68            69            70 
      1   0.134306D+02  0.492511D+01  0.938725D+00 -0.177989D+02  0.125721D+02
      2  -0.162168D+00 -0.317381D+01 -0.595978D+01  0.155320D+02 -0.924873D+00
      3  -0.132684D+02 -0.175129D+01  0.502105D+01  0.226689D+01 -0.116472D+02
      4  -0.197897D+02 -0.833978D+01  0.105072D+02  0.131458D+01 -0.240871D+02
      5  -0.626190D+01 -0.146179D+02 -0.334526D+01  0.944315D+01 -0.760046D+01
      6   0.209048D+01  0.929567D+01  0.655998D+01 -0.757283D+01  0.517085D+01
                71            72            73            74            75 
      1  -0.208695D+02  0.205234D+01  0.769753D+01 -0.318724D+01 -0.740286D+01
      2   0.190292D+02 -0.606997D+01 -0.934537D+01  0.190133D+01 -0.133735D+01
      3   0.184030D+01  0.401763D+01  0.164784D+01  0.128591D+01  0.874021D+01
      4   0.382228D+01  0.123517D+02 -0.871997D+01  0.976738D+01  0.987784D+01
      5   0.128406D+02  0.242726D+01 -0.558312D+01  0.549077D+01  0.311928D+01
      6  -0.117654D+02 -0.954453D+00  0.720294D+01 -0.961807D+01 -0.403938D+01
                76            77            78            79            80 
      1   0.120703D+01  0.116518D+02  0.814438D+01 -0.290335D+01  0.496663D+01
      2   0.716133D+00 -0.780085D+01 -0.121195D+02 -0.257577D+01 -0.101275D+02
      3  -0.192316D+01 -0.385094D+01  0.397508D+01  0.547912D+01  0.516084D+01
      4   0.675066D+01 -0.568550D+01 -0.456814D+01  0.689995D+01 -0.240563D+00
      5   0.673553D+01 -0.190248D+01 -0.674235D+01  0.858090D+00 -0.444664D+01
      6  -0.100239D+02 -0.493995D+01  0.236587D+01 -0.135903D+01  0.208479D+01
                81            82            83            84            85 
      1   0.182498D+01 -0.211987D+01 -0.555722D+00  0.652892D+01 -0.308493D+01
      2   0.499426D+01  0.487674D+01  0.123340D+01  0.120068D+01  0.686045D+01
      3  -0.681924D+01 -0.275687D+01 -0.677678D+00 -0.772960D+01 -0.377553D+01
      4  -0.279969D+01 -0.770327D+01  0.915315D+00  0.683695D+01 -0.486460D-01
      5   0.598163D+01  0.770095D+01  0.132386D+01 -0.208619D+01  0.101686D+01
      6   0.241483D+00  0.743739D+01 -0.158660D+01  0.362849D+01 -0.413887D+00
                86            87            88            89            90 
      1  -0.180624D+02  0.102160D+02  0.416363D+01  0.614649D+01  0.177498D+01
      2   0.178969D+02 -0.156968D+02  0.294194D+01 -0.831454D+01  0.529080D+01
      3   0.165552D+00  0.548084D+01 -0.710556D+01  0.216806D+01 -0.706578D+01
      4  -0.110088D+01  0.127319D+01  0.733243D+01  0.335299D+00  0.259932D+01
      5  -0.593218D+01  0.992293D+00 -0.843659D+00  0.411543D+00 -0.300098D+01
      6  -0.145282D+02  0.742033D+01  0.336764D+01  0.369655D+01  0.533334D+01
                91            92            93            94            95 
      1  -0.171194D+01  0.427535D+00 -0.265629D+00  0.349445D+01  0.181508D+02
      2   0.556119D-01 -0.183251D+01 -0.433221D+01 -0.786261D+01 -0.236853D+02
      3   0.165633D+01  0.140498D+01  0.459783D+01  0.436816D+01  0.553448D+01
      4  -0.639298D+01 -0.291162D+01 -0.138385D+02 -0.254275D+01 -0.525016D+01
      5  -0.318586D+01 -0.241393D+01 -0.229532D+01 -0.228321D+01  0.151631D+01
      6  -0.142279D+02 -0.351550D+01 -0.716482D+01 -0.315785D+01  0.293527D+02
                96            97            98            99           100 
      1  -0.160057D+02 -0.166350D+01 -0.222696D+02  0.659247D+01 -0.333386D+01
      2   0.283116D+02 -0.240715D+01  0.333737D+02 -0.107929D+02  0.218908D+00
      3  -0.123059D+02  0.407065D+01 -0.111041D+02  0.420042D+01  0.311495D+01
      4  -0.344333D+01 -0.165925D+02 -0.195221D+01 -0.961940D+01  0.731710D+01
      5   0.142363D+00 -0.297179D+01 -0.253522D+01 -0.477550D+00 -0.715119D+01
      6  -0.117359D+02 -0.100779D+02 -0.166376D+02  0.207432D+01  0.115489D+02
               101           102           103           104           105 
      1  -0.367170D+01 -0.109503D+02 -0.600866D+01  0.116676D+02  0.125156D+02
      2   0.582110D+01  0.981301D+01  0.111682D+02 -0.158905D+02 -0.256047D+02
      3  -0.214940D+01  0.113727D+01 -0.515950D+01  0.422287D+01  0.130891D+02
      4  -0.483537D+01  0.105096D+02 -0.720335D+01  0.128409D+02  0.110563D+02
      5  -0.112332D+01 -0.452997D+01 -0.125400D+01  0.947170D+01  0.184386D+01
      6   0.802260D+01  0.899651D+01  0.806149D+01 -0.266909D+02 -0.954575D+01
               106           107           108           109           110 
      1  -0.144279D+02  0.164501D+02  0.713447D+00 -0.677969D+01  0.272613D+01
      2   0.132394D+02 -0.282530D+02 -0.468336D+01  0.103316D+02 -0.228127D+01
      3   0.118853D+01  0.118029D+02  0.396991D+01 -0.355191D+01 -0.444862D+00
      4   0.112629D+02  0.151019D+02  0.125222D+02  0.321096D+01  0.412230D+01
      5  -0.682855D+01  0.495346D+01  0.209051D+00  0.849444D+01  0.399029D+01
      6   0.124876D+02 -0.122628D+02 -0.230155D+01 -0.331447D+01 -0.625385D+01
               111           112           113           114           115 
      1   0.117065D+02  0.499870D+01 -0.150874D+02 -0.658467D+01  0.873180D+01
      2  -0.554056D+01 -0.777770D+01  0.138557D+02  0.138566D+02 -0.244169D+01
      3  -0.616592D+01  0.277900D+01  0.123169D+01 -0.727194D+01 -0.629011D+01
      4  -0.300784D+01  0.550403D+01 -0.634222D+01 -0.643133D+01 -0.494987D+01
      5  -0.258738D+00  0.408910D+01 -0.884067D+01 -0.317859D+01  0.493319D+00
      6  -0.586118D+01 -0.498979D+01  0.111354D+02  0.587818D+01 -0.429834D+01
               116           117           118           119           120 
      1  -0.320121D+01  0.339529D+01 -0.409774D+01 -0.729639D+01  0.217558D+01
      2   0.729042D+01  0.352817D+01  0.527105D+01  0.656854D+01 -0.309694D+01
      3  -0.408920D+01 -0.692346D+01 -0.117331D+01  0.727851D+00  0.921360D+00
      4  -0.480330D+01 -0.317490D+01 -0.243655D+01  0.399328D+01 -0.933719D-01
      5  -0.127923D+01 -0.169471D+01  0.767036D+00  0.132679D+01  0.698010D+00
      6   0.236986D+01 -0.580578D+01 -0.208082D+01 -0.226717D+01  0.143838D+01
               121           122           123           124           125 
      1  -0.591725D+01 -0.156541D+02  0.680282D+01  0.394359D+01  0.109998D+02
      2   0.169041D+01  0.287821D+02 -0.995677D+01 -0.183868D+01 -0.149401D+02
      3   0.422684D+01 -0.131280D+02  0.315394D+01 -0.210491D+01  0.394025D+01
      4   0.858502D+01 -0.203417D+02  0.553481D+01 -0.259520D+01  0.103060D+02
      5   0.834227D-01  0.681404D+01 -0.629488D+01  0.309430D+01 -0.908880D+01
      6  -0.655427D+00 -0.107870D+02  0.900213D+01 -0.124503D+01  0.124968D+02
               126           127           128           129           130 
      1  -0.647292D+01  0.343574D+02 -0.129627D+02 -0.108433D+02 -0.704245D+01
      2   0.775193D+01 -0.138242D+02  0.930074D+00  0.448595D+01 -0.364370D+01
      3  -0.127900D+01 -0.205332D+02  0.120326D+02  0.635740D+01  0.106862D+02
      4  -0.753344D+01 -0.331147D+02  0.226397D+02  0.137283D+02  0.221637D+02
      5   0.964583D+01 -0.204279D+02  0.111565D+02  0.139348D+02  0.905382D+01
      6  -0.118931D+02  0.106429D+02 -0.683380D+01 -0.697764D+01 -0.756078D+01
               131           132           133           134           135 
      1   0.439734D+01  0.258578D+01 -0.131134D+02  0.573844D+01  0.619938D+01
      2   0.706312D+01  0.109105D+01  0.630481D+01 -0.139864D+01 -0.407785D+01
      3  -0.114605D+02 -0.367683D+01  0.680858D+01 -0.433980D+01 -0.212153D+01
      4  -0.234157D+02 -0.101791D+02  0.191669D+02 -0.150532D+02 -0.158620D+02
      5  -0.901415D+01 -0.735277D+01  0.195518D+02 -0.133565D+02 -0.190024D+02
      6   0.746317D+01  0.764585D+01 -0.111935D+02  0.112792D+02  0.124784D+02
               136           137           138           139           140 
      1   0.227123D+02  0.868249D+01 -0.465894D+01  0.150574D+02  0.752672D+01
      2  -0.130185D+02 -0.451008D+01  0.313547D+01 -0.741729D+01 -0.287850D+01
      3  -0.969384D+01 -0.417241D+01  0.152347D+01 -0.764014D+01 -0.464822D+01
      4   0.794526D+01  0.724857D+01 -0.404081D+01  0.102708D+02  0.186428D+02
      5  -0.559075D+01 -0.420966D+01  0.743201D+01 -0.596343D+01 -0.867830D+01
      6  -0.131499D+01 -0.794601D+00  0.257422D+00 -0.100645D+01 -0.233011D+01
               141           142           143           144           145 
      1  -0.512847D+01 -0.111280D+02 -0.602995D+01  0.833680D+01  0.639860D+02
      2   0.236108D+01  0.692349D+01  0.481759D+01 -0.700670D+01 -0.367579D+02
      3   0.276739D+01  0.420447D+01  0.121235D+01 -0.133010D+01 -0.272280D+02
      4  -0.768631D+01 -0.695054D+01 -0.110165D+02  0.690587D+01 -0.160216D+02
      5   0.778536D+01  0.130785D+02  0.841374D+01 -0.151587D+02  0.289933D+02
      6   0.234251D+01  0.674192D+00  0.253756D+01 -0.149809D+01 -0.618151D+01
               146           147           148           149           150 
      1  -0.670894D+01  0.204417D+02 -0.800133D+01  0.824508D+01 -0.349745D+01
      2   0.272456D+01 -0.133901D+02  0.257787D+01 -0.354682D+01  0.161369D+01
      3   0.398438D+01 -0.705160D+01  0.542346D+01 -0.469826D+01  0.188376D+01
      4   0.101660D+02 -0.604081D+01  0.154787D+02 -0.728027D+01  0.492767D+01
      5  -0.472327D+01  0.181419D+02 -0.571780D+01  0.460567D+01 -0.316517D+01
      6   0.193773D+01 -0.341968D+01  0.395348D+01 -0.199897D+01  0.365906D+01
               151           152           153           154           155 
      1   0.282021D+02 -0.386324D+01  0.168660D+02  0.624548D+01 -0.409907D+01
      2  -0.202512D+02  0.209658D+01 -0.146903D+02  0.175298D+01  0.122999D+02
      3  -0.795089D+01  0.176666D+01 -0.217574D+01 -0.799847D+01 -0.820085D+01
      4  -0.954219D+01  0.433495D+01 -0.530682D+01  0.246197D+02  0.122299D+02
      5   0.276481D+02 -0.319377D+01  0.220297D+02  0.564086D+01  0.188653D+01
      6  -0.528579D+01  0.316498D+01 -0.464757D+01  0.101240D+02  0.446390D+01
               156           157           158           159           160 
      1   0.176443D+01 -0.359516D+01 -0.518369D+01 -0.124462D+01  0.101619D+01
      2   0.141921D+01  0.841456D+01  0.114482D+02  0.213788D+01  0.130980D+01
      3  -0.318363D+01 -0.481940D+01 -0.626453D+01 -0.893264D+00 -0.232599D+01
      4   0.986147D+01  0.730265D+01  0.102896D+02  0.313141D+01  0.147985D+02
      5   0.483261D+01  0.112599D+01  0.184186D+01  0.950060D+00  0.568164D+01
      6   0.860481D+01  0.255395D+01  0.319138D+01  0.489569D+01  0.106045D+02
               161           162           163           164           165 
      1  -0.257019D+01 -0.232691D+01 -0.448831D+01  0.419656D+00  0.151445D+00
      2   0.636324D+01  0.363959D+01  0.846277D+01  0.678743D+00 -0.245446D+00
      3  -0.379305D+01 -0.131268D+01 -0.397446D+01 -0.109840D+01  0.940003D-01
      4   0.707575D+01  0.994495D+01  0.220279D+01  0.136251D+02 -0.397992D+01
      5   0.272715D+01  0.551608D+01 -0.205125D+00 -0.279991D+01  0.303963D+01
      6   0.999076D+01  0.143771D+02 -0.399325D+01 -0.630228D+00  0.116404D+01
               166           167           168           169           170 
      1  -0.199968D+01 -0.397682D+02  0.144964D+02  0.199570D+01  0.220852D+02
      2   0.448261D+01  0.676422D+02 -0.217244D+02 -0.239762D+01 -0.302944D+02
      3  -0.248292D+01 -0.278741D+02  0.722803D+01  0.401918D+00  0.820918D+01
      4   0.907813D+01  0.660014D+01 -0.247479D+01 -0.328555D+01 -0.340593D+01
      5  -0.104686D+01 -0.797605D+00  0.716134D+00  0.274049D+01  0.154522D+01
      6  -0.199106D+01 -0.306375D+02  0.186866D+02  0.367611D+01  0.281464D+02
               171           172           173           174           175 
      1  -0.151789D+02  0.176459D+02  0.160493D+01  0.645607D+01  0.375964D+01
      2   0.173790D+02 -0.668012D+01 -0.855949D+01 -0.329831D+01 -0.738420D+01
      3  -0.220008D+01 -0.109658D+02  0.695456D+01 -0.315776D+01  0.362456D+01
      4   0.350514D+01 -0.255220D+02  0.113328D+02 -0.888897D+01  0.594169D+01
      5  -0.130211D+01  0.866040D+01 -0.118836D+01  0.710030D+01 -0.147869D+00
      6  -0.223909D+02 -0.927215D+01  0.181134D+01 -0.792805D+01  0.417048D+00
               176           177           178           179           180 
      1   0.950343D+00  0.114605D+01  0.835356D+01  0.568712D+00  0.281958D+01
      2   0.250280D+01 -0.122938D+01 -0.513300D+01 -0.360825D+01 -0.151717D+01
      3  -0.345315D+01  0.833288D-01 -0.322056D+01  0.303954D+01 -0.130241D+01
      4  -0.799787D+01  0.129806D+01 -0.147180D+02  0.474463D+01 -0.101019D+02
      5   0.180703D+01 -0.470145D+00  0.914496D+01 -0.295588D+01  0.887706D+01
      6  -0.151206D+01  0.266672D+01 -0.107229D+02  0.651542D+01 -0.123691D+02
               181           182           183           184           185 
      1  -0.190086D+01  0.428656D+00  0.116503D+01  0.448802D+01 -0.302870D+02
      2   0.831555D+01 -0.736336D+01 -0.309062D+01 -0.127333D+02  0.558905D+02
      3  -0.641469D+01  0.693470D+01  0.192559D+01  0.824533D+01 -0.256035D+02
      4  -0.119733D+02  0.172805D+02  0.606723D+01  0.149493D+02 -0.253983D+02
      5  -0.265982D+01  0.436363D+01  0.448141D+01  0.307871D+01 -0.706308D+01
      6   0.564869D+01 -0.626754D+01 -0.491975D+01 -0.798595D+01  0.274156D+02
               186           187           188           189           190 
      1  -0.110364D+02  0.440108D+01 -0.162912D+02 -0.113065D+02  0.318227D+02
      2   0.180614D+02 -0.681895D+01  0.240113D+02  0.134850D+02 -0.192294D+02
      3  -0.702506D+01  0.241786D+01 -0.772018D+01 -0.217841D+01 -0.125932D+02
      4  -0.992268D+01  0.773093D+01 -0.141613D+02 -0.110380D+02 -0.691849D+00
      5  -0.448799D+01  0.564303D+01 -0.743094D+01 -0.696374D+01 -0.901425D+01
      6   0.172847D+02 -0.955777D+01  0.250604D+02  0.213118D+02 -0.449554D+00
               191           192           193           194           195 
      1  -0.730910D+01 -0.852599D+01 -0.141285D+02  0.928629D+01  0.640209D+01
      2   0.512011D+01  0.610650D+01  0.872353D+01 -0.729593D+01 -0.423077D+01
      3   0.218899D+01  0.241949D+01  0.540499D+01 -0.199036D+01 -0.217132D+01
      4   0.622082D+01  0.247607D+01  0.694169D+01 -0.114156D+02 -0.435496D+01
      5   0.416725D+01  0.891176D+01  0.602591D+01 -0.633552D+01 -0.601625D+01
      6   0.115971D+00  0.142446D+01  0.428888D+00  0.277654D+00  0.696952D+00
               196           197           198           199           200 
      1  -0.155549D+02  0.674232D+01  0.106108D+02  0.469658D+02  0.123245D+02
      2   0.112037D+02 -0.664927D+01 -0.934194D+01 -0.233147D+02 -0.343780D+01
      3   0.435114D+01 -0.930488D-01 -0.126890D+01 -0.236512D+02 -0.888674D+01
      4   0.319879D+01 -0.621405D+01 -0.234484D+01  0.301973D+02  0.165813D+02
      5   0.145234D+02 -0.528973D+01 -0.151669D+02  0.230975D+02  0.908417D+01
      6   0.247707D+01  0.976439D+00 -0.241576D+01  0.106468D+02  0.502247D+01
               201           202           203           204           205 
      1   0.147219D+02  0.108777D+02  0.699104D+01  0.447495D+01  0.194414D+02
      2  -0.829684D+01 -0.557678D+00  0.140338D+01 -0.940135D+00 -0.122334D+02
      3  -0.642503D+01 -0.103200D+02 -0.839442D+01 -0.353482D+01 -0.720805D+01
      4   0.117113D+02  0.214307D+02  0.176800D+02  0.864528D+01  0.180640D+02
      5   0.154911D+02  0.931756D+01  0.736904D+01  0.608589D+01  0.239863D+02
      6   0.647141D+01  0.712493D+01  0.575122D+01  0.609626D+01  0.106777D+02
               206           207           208           209           210 
      1   0.638793D+01  0.122099D+02 -0.735209D+01  0.835062D+01  0.382170D+01
      2  -0.274366D+01 -0.100871D+02  0.797744D+01 -0.108349D+02 -0.541455D+01
      3  -0.364427D+01 -0.212282D+01 -0.625356D+00  0.248424D+01  0.159285D+01
      4   0.100791D+02  0.123486D+02 -0.384350D+01  0.412841D+01  0.121689D+01
      5   0.863626D+01  0.202739D+02  0.636213D+00 -0.149850D+01  0.686865D-01
      6   0.677502D+01  0.101378D+02  0.367317D+01 -0.457897D+01 -0.367001D+01
               211           212           213           214           215 
      1   0.509892D+01 -0.205779D+02 -0.764887D+01  0.581100D+01 -0.130898D+02
      2  -0.420492D+01  0.343159D+02  0.104916D+02 -0.479394D+01  0.172889D+02
      3  -0.893996D+00 -0.137381D+02 -0.284277D+01 -0.101706D+01 -0.419910D+01
      4   0.635550D+01  0.105189D+02  0.118087D+01  0.286712D+01  0.334011D+01
      5  -0.671816D+00  0.349895D+01  0.384280D+01  0.114312D+01  0.612923D+01
      6  -0.276307D+01  0.108008D+02  0.951996D+01 -0.168022D+01  0.143354D+02
               216           217           218           219           220 
      1  -0.921043D+01  0.145496D+02  0.667467D+01 -0.372120D+01  0.127535D+01
      2   0.104495D+02 -0.977757D-01  0.608908D+01 -0.130614D+01  0.101523D+02
      3  -0.123907D+01 -0.144518D+02 -0.127638D+02  0.502734D+01 -0.114277D+02
      4   0.307184D+01  0.288191D+02  0.252719D+02 -0.126107D+02  0.222735D+02
      5   0.632301D+01 -0.124400D+02 -0.102587D+02  0.993837D+01 -0.806821D+01
      6   0.139210D+02 -0.102780D+02 -0.934802D+01  0.755428D+01 -0.963020D+01
               221           222           223           224           225 
      1  -0.660359D+01  0.189741D+01 -0.276004D+01  0.159308D+01 -0.227041D+01
      2   0.244125D+02 -0.704217D+01 -0.237440D+01 -0.718565D+01  0.428004D+01
      3  -0.178089D+02  0.514476D+01  0.513444D+01  0.559257D+01 -0.200963D+01
      4   0.319866D+02 -0.128115D+02 -0.162686D+02 -0.190983D+02  0.160182D+02
      5  -0.114151D+02  0.794038D+01  0.126670D+02  0.134487D+02 -0.149919D+02
      6  -0.146981D+02  0.115825D+02  0.113670D+02  0.175490D+02 -0.166867D+02
               226           227           228           229           230 
      1  -0.537696D+01  0.893390D+01 -0.653105D+01  0.599711D+01 -0.130884D+02
      2   0.477422D+01 -0.874981D+01  0.415162D+01 -0.499279D+01  0.169022D+02
      3   0.602741D+00 -0.184089D+00  0.237943D+01 -0.100432D+01 -0.381381D+01
      4  -0.102418D+02  0.207531D+01 -0.179184D+01  0.661245D+01 -0.456858D+01
      5   0.347707D+01 -0.181708D+01  0.115783D+01 -0.172671D+01  0.199498D+01
      6  -0.405712D+01  0.116757D+02 -0.820102D+01  0.554887D+01 -0.123022D+02
               231           232           233           234           235 
      1   0.725341D+01 -0.284083D+01  0.549870D+01 -0.690879D+01  0.162524D+01
      2  -0.590191D+01  0.162646D+01 -0.232553D+01  0.122568D+01 -0.462348D+01
      3  -0.135151D+01  0.121436D+01 -0.317316D+01  0.568310D+01  0.299824D+01
      4   0.331916D+01 -0.903860D+00  0.425444D+01 -0.326423D+01  0.268313D+01
      5  -0.648488D+00  0.198922D+01 -0.108169D+01  0.337876D+00 -0.608367D+01
      6   0.890964D+01 -0.445158D+01  0.692528D+01 -0.845142D+01 -0.201404D+01
               236           237           238           239           240 
      1   0.373751D+00 -0.644832D+00 -0.159786D+00  0.232688D+00 -0.116500D+01
      2   0.766744D+00  0.663028D+01  0.138372D+01 -0.404304D+01 -0.560756D+01
      3  -0.114049D+01 -0.598545D+01 -0.122393D+01  0.381035D+01  0.677256D+01
      4   0.233973D+01 -0.137997D+01 -0.233805D+01 -0.579756D+01  0.116728D+01
      5  -0.146411D+00  0.859336D+01  0.216082D+01  0.136108D+00 -0.430180D+01
      6   0.984880D-01  0.288738D+01  0.224683D+01  0.275003D+01 -0.683516D+00
               241           242           243           244           245 
      1   0.352325D+00  0.212400D+01 -0.105574D+02  0.967632D+01 -0.380331D+01
      2   0.499672D+01 -0.268160D+01 -0.170527D+02 -0.574724D+01  0.360027D+01
      3  -0.534904D+01  0.557598D+00  0.276101D+02 -0.392907D+01  0.203044D+00
      4  -0.285690D+01 -0.250975D+01  0.207298D+00 -0.792489D+01  0.755407D+01
      5   0.675816D+01  0.449029D+00 -0.152013D+02  0.665033D+01 -0.601533D+01
      6   0.249188D+01  0.429997D+01 -0.127326D+02 -0.316702D+01  0.279078D+01
               246           247           248           249           250 
      1   0.246019D+01 -0.929433D+01  0.170284D+01 -0.325201D+01 -0.739182D+00
      2  -0.312679D+01  0.833468D+01 -0.230131D+01  0.589625D+01 -0.201106D+01
      3   0.666595D+00  0.959648D+00  0.598469D+00 -0.264424D+01  0.275025D+01
      4  -0.494710D+01  0.535511D+01 -0.150646D+02  0.575290D+01 -0.495107D+01
      5   0.603558D+01 -0.117914D+02  0.758665D+01 -0.954981D+01  0.502246D+01
      6  -0.207917D+01  0.445129D+01 -0.656137D+01  0.393542D+01 -0.193779D+01
               251           252           253           254           255 
      1  -0.718837D+00 -0.101023D+01 -0.585771D+01  0.918115D+00  0.311978D+01
      2   0.271559D+01 -0.458207D+01  0.265143D+01  0.284216D+00  0.176012D+01
      3  -0.199675D+01  0.559230D+01  0.320628D+01 -0.120233D+01 -0.487989D+01
      4   0.328153D+01 -0.485947D+01 -0.340991D+01 -0.347214D+00 -0.117482D+01
      5  -0.526754D+01  0.791959D+01 -0.278025D+01 -0.891338D+00 -0.263887D+00
      6   0.366635D+01 -0.257720D+01  0.618608D+00 -0.140881D+00 -0.176861D+01
               256           257           258           259           260 
      1   0.282900D+01 -0.362369D+01 -0.647845D+01  0.275219D+01 -0.401233D+01
      2  -0.161989D+01 -0.500700D-01 -0.111680D+01 -0.358723D+01 -0.126989D+01
      3  -0.120912D+01  0.367376D+01  0.759525D+01  0.835044D+00  0.528222D+01
      4   0.403249D+01  0.356758D+01  0.353269D+01  0.192300D+01  0.325095D+01
      5   0.177440D+01  0.385948D+01  0.539852D+01  0.530997D+01  0.292349D+01
      6   0.148383D+01  0.539754D+01  0.840295D+01  0.873887D+00  0.584765D+01
               261           262           263           264           265 
      1  -0.165212D+02  0.188826D+02  0.336503D+01 -0.629042D+01  0.150506D+01
      2  -0.111718D+02 -0.166884D+02 -0.606630D+01  0.866138D+01 -0.341896D+01
      3   0.276930D+02 -0.219420D+01  0.270127D+01 -0.237096D+01  0.191390D+01
      4   0.183268D+01 -0.113475D+02  0.541255D+01  0.528350D+01  0.145251D+00
      5   0.163498D+02 -0.172637D+02  0.119791D+01  0.107748D+02 -0.423775D+01
      6   0.112816D+02  0.542168D+01 -0.239199D+01 -0.487204D+01  0.641034D+00
               266           267           268           269           270 
      1   0.552218D+01  0.101154D+00 -0.420420D+01  0.932661D+00  0.207728D+01
      2  -0.453010D+01  0.127137D+01  0.758982D+01 -0.149830D+01 -0.776166D+01
      3  -0.992085D+00 -0.137253D+01 -0.338562D+01  0.565638D+00  0.568438D+01
      4   0.131572D+01  0.127623D+01  0.168828D+01  0.756479D+00 -0.182762D+01
      5   0.424281D+00  0.272192D+01  0.798979D+01  0.100584D+01 -0.744617D+01
      6  -0.212288D+01 -0.823664D+00 -0.236437D+01  0.714886D+00  0.385729D+01
               271           272           273           274           275 
      1  -0.573588D+00 -0.582213D+01 -0.780181D+01 -0.139427D+01 -0.290269D+01
      2  -0.409958D+01  0.554832D+01 -0.107665D+01  0.124606D+01  0.585789D+00
      3   0.467317D+01  0.273809D+00  0.887845D+01  0.148210D+00  0.231690D+01
      4   0.429960D+01 -0.216481D+01  0.242500D+01 -0.299563D+00  0.184675D+01
      5   0.163533D+01 -0.103107D+01  0.227119D+01 -0.323718D+00  0.191543D+01
      6   0.172587D+01  0.563273D+01  0.798642D+01  0.249389D+01  0.321501D+01
               276           277           278           279           280 
      1  -0.253933D+01 -0.251075D+01 -0.594383D+01 -0.156975D+02  0.122813D+02
      2   0.790622D+00 -0.590939D+00  0.153910D+01 -0.119823D+02 -0.112560D+02
      3   0.174871D+01  0.310169D+01  0.440473D+01  0.276798D+02 -0.102526D+01
      4   0.139146D+01  0.320189D+01 -0.122665D+01  0.264570D+01  0.171191D+02
      5   0.749080D+00  0.366163D+01 -0.736067D+00 -0.350289D+01 -0.151013D+02
      6   0.576416D+01  0.126832D+01  0.755208D+01  0.196343D+02 -0.860458D+01
               281           282           283           284           285 
      1  -0.365908D+01 -0.242685D+01  0.471719D+00  0.417132D+01 -0.142268D+01
      2   0.635055D+01  0.502052D+01  0.139421D+01 -0.201433D+01  0.691679D+00
      3  -0.269147D+01 -0.259367D+01 -0.186593D+01 -0.215699D+01  0.731003D+00
      4   0.654528D+01 -0.830994D+01  0.318279D+01  0.285345D+01 -0.867621D+00
      5  -0.447101D+01  0.941780D+01 -0.113460D+00 -0.400262D+00  0.966630D-01
      6  -0.545651D+01  0.754213D+01 -0.125261D+01  0.102162D+01  0.564350D+00
               286           287           288           289           290 
      1  -0.227063D+01 -0.170491D+01  0.504674D+00 -0.752885D+00  0.629437D+01
      2   0.537531D+01  0.312014D+01 -0.619271D+01 -0.387986D+01 -0.668155D+01
      3  -0.310468D+01 -0.141523D+01  0.568804D+01  0.463274D+01  0.387179D+00
      4  -0.429674D+01 -0.117740D+01  0.410626D+01 -0.311033D+01  0.739841D+00
      5   0.725275D+01  0.793329D+00 -0.633546D+01  0.222406D+01 -0.589968D+00
      6   0.414804D+01  0.163256D+01 -0.570037D+01 -0.341598D+01  0.536960D+01
               291           292           293           294           295 
      1  -0.626556D+01  0.161469D+01  0.803540D-01  0.177333D+00 -0.230313D+01
      2  -0.264642D+01 -0.204314D+01 -0.252928D+01 -0.708306D+00 -0.180786D+01
      3   0.891199D+01  0.428455D+00  0.244892D+01  0.530973D+00  0.411099D+01
      4  -0.415881D+01  0.202625D+00 -0.210894D+01  0.100844D+01 -0.332235D+01
      5   0.467807D+01 -0.464889D+00  0.240529D+01 -0.101981D+01  0.405846D+01
      6  -0.812140D+01  0.226835D+01 -0.755770D+00  0.353132D+01 -0.218859D+01
               296           297           298           299           300 
      1   0.559919D+01 -0.140870D+02  0.276843D+01  0.191547D+01 -0.313183D+00
      2  -0.223223D+01 -0.135989D+02  0.499514D+00 -0.768745D+00  0.292758D+00
      3  -0.336696D+01  0.276859D+02 -0.326794D+01 -0.114673D+01  0.204252D-01
      4  -0.108263D+00 -0.318465D+01  0.654172D+01  0.645189D+01  0.369239D+01
      5  -0.160239D+00  0.157416D+01  0.189954D+01  0.415242D+01  0.313121D+01
      6   0.710433D+01 -0.198315D+02  0.211669D+01  0.264753D+01  0.184692D+01
               301           302           303           304           305 
      1   0.804330D+01 -0.401787D+01 -0.150337D+00 -0.284351D+01 -0.180241D+01
      2  -0.604895D+01  0.398214D+01 -0.261934D+01  0.650994D+00 -0.826968D+00
      3  -0.199435D+01  0.357280D-01  0.276968D+01  0.219252D+01  0.262938D+01
      4   0.701565D+01  0.181590D+02  0.846373D+01  0.363893D+01  0.480881D+01
      5   0.941448D+01  0.941708D+01  0.940810D+01  0.332129D+01  0.523089D+01
      6   0.573650D+01  0.108137D+02  0.697097D+01  0.187700D+01  0.562964D+01
               306           307           308           309           310 
      1  -0.363657D+01 -0.546201D+01 -0.168622D+01  0.132239D+01 -0.542187D+01
      2  -0.202976D+01  0.273124D+01  0.741874D+00  0.153818D+01  0.455388D+01
      3   0.566633D+01  0.273078D+01  0.944346D+00 -0.286057D+01  0.867987D+00
      4   0.517549D+01  0.106719D+00  0.549839D+00  0.162738D+00  0.338468D+01
      5   0.714698D+01 -0.173823D+01 -0.927416D+00  0.114800D+01 -0.395102D+01
      6   0.454192D+01 -0.182001D+01  0.694690D+00 -0.942097D-01  0.161619D+01
               311           312           313           314           315 
      1  -0.333386D+01  0.484989D+01  0.256038D+01  0.299812D+01 -0.152569D+02
      2  -0.959661D+00  0.371355D+01 -0.475147D+01  0.190762D+01 -0.124073D+02
      3   0.429352D+01 -0.856344D+01  0.219108D+01 -0.490574D+01  0.276643D+02
      4  -0.313589D+01  0.462498D+01 -0.106670D+01  0.340915D+01 -0.292640D+01
      5   0.432965D+01 -0.728257D+01  0.627406D+01 -0.282635D+01  0.186459D+02
      6  -0.382304D+01  0.695288D+01 -0.793083D+00  0.487849D+01 -0.680181D+01
               316           317           318           319           320 
      1  -0.566974D+01 -0.686928D+01 -0.443574D+01 -0.648645D+01 -0.174117D+02
      2   0.566914D+01  0.559186D+01  0.254157D+01  0.440662D+01  0.206363D+02
      3   0.596321D-03  0.127742D+01  0.189417D+01  0.207983D+01 -0.322462D+01
      4   0.548738D+01 -0.162386D+00 -0.879219D+00  0.526795D+01 -0.255219D+01
      5   0.239299D+01 -0.265566D+00 -0.511853D+00  0.113834D+01 -0.112982D+01
      6   0.109231D+01  0.879919D+01  0.568308D+01  0.293139D+01  0.161956D+02
               321           322           323           324           325 
      1  -0.953569D+01 -0.997139D+00 -0.756856D+01 -0.792504D+01  0.224342D+01
      2   0.762145D+01  0.700017D+00  0.420947D+01  0.233909D+01 -0.474851D+01
      3   0.191424D+01  0.297122D+00  0.335909D+01  0.558595D+01  0.250509D+01
      4  -0.476056D+00 -0.739150D+00  0.170263D+01  0.793284D+00 -0.519153D+00
      5  -0.176541D+01  0.906730D+00 -0.471932D+00 -0.175810D+01 -0.537538D+01
      6   0.105648D+02  0.278131D+01  0.788539D+01  0.821398D+01 -0.109836D+00
               326           327           328           329           330 
      1  -0.208017D+00 -0.110730D+01  0.252497D+01 -0.264856D+01  0.638120D+00
      2  -0.586384D+00  0.515370D+01 -0.336924D+01 -0.172110D+01  0.741243D+01
      3   0.794401D+00 -0.404640D+01  0.844271D+00  0.436966D+01 -0.805055D+01
      4   0.532167D+00 -0.469160D+00 -0.329261D+01  0.569804D+01 -0.312278D+00
      5  -0.143267D+01  0.772640D+01 -0.419804D+01 -0.348420D+00  0.643315D+01
      6   0.687620D+00 -0.741435D+00  0.217543D+01 -0.194489D+01  0.344755D+00
               331           332           333 
      1  -0.611699D+00 -0.736879D+00 -0.109110D+02
      2   0.564420D+01  0.260320D+01 -0.167626D+02
      3  -0.503250D+01 -0.186632D+01  0.276736D+02
      4   0.221116D+01 -0.293423D+01  0.139900D+01
      5   0.738352D+01  0.313751D+00 -0.179845D+02
      6  -0.171031D+01  0.376297D+01  0.848785D+01
 Leave Link  716 at Fri Jul 23 19:09:28 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153393D+03 -0.183319D-01  0.246663D-01
      2  -0.183319D-01  0.153332D+03  0.148496D-01
      3   0.246663D-01  0.148496D-01  0.119620D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.470725D+01  0.176482D-01  0.877559D-01
      2  -0.134572D+00  0.458869D+01 -0.225498D-01
      3   0.626108D-01 -0.130043D+00 -0.707633D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.318509D+02 -0.782524D+02 -0.134494D+00
      2  -0.318447D+02  0.782459D+02  0.123304D+00
      3  -0.621938D-02  0.645757D-02  0.111898D-01
      4  -0.780953D+02 -0.316315D+02 -0.790611D-01
      5  -0.768187D-01  0.444727D+01  0.911887D-01
      6  -0.457164D+01  0.109513D+00 -0.608568D-03
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.654053D+00  0.158858D+01 -0.147381D+01  0.948721D+00  0.921104D+00
      2   0.158858D+01  0.176078D+01 -0.326003D+01  0.921104D+00  0.332159D+01
      3  -0.147381D+01 -0.326003D+01 -0.729223D-01 -0.337789D+01 -0.391471D+00
                 6             7             8             9            10 
      1  -0.337789D+01 -0.168308D+01 -0.451086D+01  0.347856D+00  0.417144D+01
      2  -0.391471D+00 -0.451086D+01 -0.999510D+00  0.282801D+01  0.514440D+00
      3   0.178442D+01  0.347856D+00  0.282801D+01 -0.232262D+00  0.217328D+01
                11            12            13            14            15 
      1   0.514440D+00  0.217328D+01  0.165728D+01  0.992546D+00  0.308770D+01
      2   0.651762D+00  0.321131D+01  0.992546D+00 -0.307934D+00 -0.340015D+00
      3   0.321131D+01  0.172248D+01  0.308770D+01 -0.340015D+00 -0.525699D+00
                16            17            18            19            20 
      1   0.348443D+01  0.407486D+01  0.288738D+01 -0.103106D+02 -0.189250D+01
      2   0.407486D+01 -0.658158D+00 -0.357238D+00 -0.189250D+01  0.356186D-01
      3   0.288738D+01 -0.357238D+00  0.224460D+00 -0.459635D+01 -0.235004D+01
                21            22            23            24            25 
      1  -0.459635D+01 -0.437139D+01 -0.608725D+00 -0.285939D+01 -0.359792D+01
      2  -0.235004D+01 -0.608725D+00 -0.130865D+01 -0.273530D-01 -0.154650D+01
      3  -0.216667D+01 -0.285939D+01 -0.273530D-01  0.238609D+00 -0.238757D+01
                26            27            28            29            30 
      1  -0.154650D+01 -0.238757D+01 -0.564524D+00  0.144495D+01  0.279077D-01
      2  -0.130765D+00  0.939110D+00  0.144495D+01  0.569621D+00 -0.166066D+01
      3   0.939110D+00  0.398452D+00  0.279077D-01 -0.166066D+01 -0.294338D-03
                31            32            33            34            35 
      1   0.142639D+01  0.575146D+00  0.165397D+01  0.124796D-02 -0.809330D-02
      2   0.575146D+00 -0.141871D+01 -0.101548D-01 -0.809330D-02  0.139505D-01
      3   0.165397D+01 -0.101548D-01  0.111371D-02 -0.872766D-02  0.419271D-02
                36            37            38            39            40 
      1  -0.872766D-02 -0.223259D+01 -0.236955D+01  0.167856D+01 -0.113679D+01
      2   0.419271D-02 -0.236955D+01 -0.598602D+01  0.363878D+01 -0.374185D+01
      3   0.174234D-02  0.167856D+01  0.363878D+01 -0.353456D+00  0.313125D+01
                41            42            43            44            45 
      1  -0.374185D+01  0.313125D+01  0.117839D+01  0.222903D+01  0.275621D+00
      2  -0.731938D+01  0.292464D+01  0.222903D+01  0.255001D+01 -0.251967D+01
      3   0.292464D+01 -0.214814D+01  0.275621D+00 -0.251967D+01 -0.410902D+00
                46            47            48            49            50 
      1   0.113629D+02  0.919388D+00  0.554550D+01 -0.165045D+01  0.311910D-01
      2   0.919388D+00  0.585765D-01 -0.906946D+00  0.311910D-01 -0.125211D+01
      3   0.554550D+01 -0.906946D+00  0.203052D+01 -0.138614D+01 -0.957866D+00
                51            52            53            54            55 
      1  -0.138614D+01  0.412243D+01 -0.524278D+00  0.200441D+01 -0.441504D+01
      2  -0.957866D+00 -0.524278D+00 -0.390499D+00  0.149775D+01 -0.235722D+00
      3   0.752209D+00  0.200441D+01  0.149775D+01 -0.413223D+00 -0.362425D+01
                56            57            58            59            60 
      1  -0.235722D+00 -0.362425D+01  0.802728D+00 -0.485778D+00  0.208029D+01
      2  -0.441394D+00  0.220940D+01 -0.485778D+00 -0.739387D+00  0.171549D+01
      3   0.220940D+01 -0.155449D+01  0.208029D+01  0.171549D+01 -0.920916D+00
                61            62            63            64            65 
      1  -0.526843D+01  0.258264D+01 -0.269177D+01 -0.191261D+01  0.196216D+01
      2   0.258264D+01  0.241130D+01 -0.109733D+01  0.196216D+01 -0.159562D+01
      3  -0.269177D+01 -0.109733D+01 -0.239365D+00  0.309791D+01 -0.264675D+01
                66            67            68            69            70 
      1   0.309791D+01  0.119081D+01 -0.878930D+00 -0.273448D+01  0.397352D+01
      2  -0.264675D+01 -0.878930D+00  0.226008D+01 -0.118972D+01 -0.382735D+01
      3  -0.387964D+00 -0.273448D+01 -0.118972D+01  0.176905D+01 -0.112026D+01
                71            72            73            74            75 
      1  -0.382735D+01 -0.112026D+01  0.438600D+01 -0.408288D+01 -0.341033D+01
      2  -0.118109D+01  0.271708D+01 -0.408288D+01  0.572023D+01  0.350863D+01
      3   0.271708D+01  0.263516D+00 -0.341033D+01  0.350863D+01  0.875552D+00
                76            77            78            79            80 
      1  -0.231120D+01  0.386319D+01  0.301602D+01 -0.234740D+01  0.226376D+01
      2   0.386319D+01 -0.375009D+01 -0.118792D+01  0.226376D+01 -0.139527D+01
      3   0.301602D+01 -0.118792D+01 -0.197683D+01  0.360843D+00 -0.252367D+01
                81            82            83            84            85 
      1   0.360843D+00 -0.842704D+00  0.880449D+00  0.109369D+01  0.161236D+01
      2  -0.252367D+01  0.880449D+00  0.102807D+01 -0.378765D+00  0.352210D+01
      3   0.388230D+00  0.109369D+01 -0.378765D+00  0.125606D+01 -0.905095D+00
                86            87            88            89            90 
      1   0.352210D+01 -0.905095D+00  0.395100D+00 -0.723831D+00  0.196777D+01
      2   0.100802D+02 -0.556653D+01 -0.723831D+00 -0.404398D+01  0.158355D+01
      3  -0.556653D+01  0.172235D+01  0.196777D+01  0.158355D+01  0.462566D+00
                91            92            93            94            95 
      1  -0.107709D+01 -0.407635D+00 -0.243814D+01 -0.607172D+00 -0.120165D+01
      2  -0.407635D+00 -0.160453D+00 -0.470037D+00 -0.120165D+01 -0.407532D+01
      3  -0.243814D+01 -0.470037D+00 -0.134421D+01 -0.562167D+00  0.427472D+01
                96            97            98            99           100 
      1  -0.562167D+00 -0.325360D+01 -0.265924D+00 -0.178127D+01  0.147339D+01
      2   0.427472D+01 -0.265924D+00  0.603508D+01 -0.235522D+01 -0.572293D+00
      3  -0.124287D+01 -0.178127D+01 -0.235522D+01  0.189430D+00  0.223930D+01
               101           102           103           104           105 
      1  -0.572293D+00  0.223930D+01 -0.109176D+01  0.187510D+01  0.116562D+01
      2   0.920001D+00  0.129580D+01  0.187510D+01 -0.323565D+01 -0.409566D+01
      3   0.129580D+01  0.160202D+01  0.116562D+01 -0.409566D+01 -0.882552D+00
               106           107           108           109           110 
      1   0.279345D+01  0.200945D+01  0.229562D+01 -0.706443D+00  0.251352D+01
      2   0.200945D+01 -0.555515D+01 -0.176368D+01  0.251352D+01 -0.251127D+01
      3   0.229562D+01 -0.176368D+01 -0.225783D+00 -0.306139D+00 -0.199423D+01
               111           112           113           114           115 
      1  -0.306139D+00  0.389865D+01 -0.474172D+01 -0.251187D+01  0.292001D+00
      2  -0.199423D+01 -0.474172D+01  0.750026D+01  0.492001D+01 -0.173130D+01
      3  -0.169775D+01 -0.251187D+01  0.492001D+01  0.140170D+01 -0.231633D+01
               116           117           118           119           120 
      1  -0.173130D+01 -0.231633D+01 -0.484598D+00 -0.919035D+00  0.333702D+00
      2   0.343173D+01  0.100081D+01 -0.919035D+00 -0.443395D+00  0.398587D+00
      3   0.100081D+01 -0.425161D+00  0.333702D+00  0.398587D+00 -0.277128D+00
               121           122           123           124           125 
      1  -0.148966D+01  0.480482D+00  0.109893D+00  0.799785D+00  0.249180D+00
      2   0.480482D+00 -0.499414D+01  0.166053D+01  0.249180D+00  0.272119D+01
      3   0.109893D+00  0.166053D+01 -0.145508D+01  0.234424D+00 -0.199419D+01
               126           127           128           129           130 
      1   0.234424D+00  0.642668D+01 -0.295152D+01 -0.222752D+01 -0.243921D+01
      2  -0.199419D+01 -0.295152D+01  0.248563D+01  0.128333D+01  0.254613D+01
      3   0.218636D+01 -0.222752D+01  0.128333D+01  0.165367D+01  0.123550D+01
               131           132           133           134           135 
      1   0.254613D+01  0.123550D+01 -0.346901D+01  0.241216D+01  0.259528D+01
      2  -0.325432D+01 -0.109743D+01  0.241216D+01 -0.180328D+01 -0.208395D+01
      3  -0.109743D+01 -0.113977D+01  0.259528D+01 -0.208395D+01 -0.269966D+01
               136           137           138           139           140 
      1   0.297124D+01  0.123898D+01 -0.729745D+00  0.229133D+01  0.121981D+01
      2   0.123898D+01  0.990494D+00 -0.519385D+00  0.121981D+01  0.290615D+01
      3  -0.729745D+00 -0.519385D+00  0.853038D+00 -0.772150D+00 -0.123735D+01
               141           142           143           144           145 
      1  -0.772150D+00 -0.148898D+01 -0.938954D+00  0.159094D+01  0.901065D+01
      2  -0.123735D+01 -0.938954D+00 -0.197486D+01  0.121350D+01 -0.113281D+01
      3   0.118980D+01  0.159094D+01  0.121350D+01 -0.217593D+01  0.291917D+01
               146           147           148           149           150 
      1  -0.113281D+01  0.291917D+01 -0.147721D+01  0.169677D+01 -0.596008D+00
      2   0.128461D+01 -0.545423D+00  0.169677D+01 -0.881680D+00  0.407063D+00
      3  -0.545423D+00  0.199809D+01 -0.596008D+00  0.407063D+00 -0.389729D+00
               151           152           153           154           155 
      1   0.505794D+01 -0.847495D+00  0.330717D+01  0.383047D+01  0.127742D+01
      2  -0.847495D+00  0.217859D+00 -0.382378D+00  0.127742D+01  0.224305D+01
      3   0.330717D+01 -0.382378D+00  0.267177D+01  0.156180D+01  0.592086D+00
               156           157           158           159           160 
      1   0.156180D+01  0.774980D+00  0.133931D+01  0.305498D+00  0.246242D+01
      2   0.592086D+00  0.133931D+01  0.165345D+01  0.480794D+00  0.684932D+00
      3   0.138945D+01  0.305498D+00  0.480794D+00  0.491893D+00  0.161488D+01
               161           162           163           164           165 
      1   0.684932D+00  0.161488D+01  0.282914D+00  0.156319D+01 -0.323478D+00
      2   0.106733D+01  0.120464D+01  0.156319D+01  0.210388D+00 -0.133766D+00
      3   0.120464D+01  0.219813D+01 -0.323478D+00 -0.133766D+00  0.177220D+00
               166           167           168           169           170 
      1   0.122382D+01  0.630462D+00 -0.169170D+00 -0.128736D+00 -0.503327D+00
      2   0.630462D+00  0.928285D+01 -0.301720D+01 -0.503327D+00 -0.517923D+01
      3  -0.169170D+00 -0.301720D+01  0.201710D+01  0.511248D+00  0.329271D+01
               171           172           173           174           175 
      1   0.511248D+00 -0.453903D+01  0.104659D+01 -0.167561D+01  0.332831D+00
      2   0.329271D+01  0.104659D+01 -0.191173D+01  0.235386D+00 -0.117523D+01
      3  -0.266058D+01 -0.167561D+01  0.235386D+00 -0.145010D+01 -0.724798D-02
               176           177           178           179           180 
      1  -0.117523D+01 -0.724798D-02 -0.270307D+01  0.261236D+00 -0.184973D+01
      2   0.558263D+00 -0.332282D+00  0.261236D+00 -0.790757D+00  0.767141D+00
      3  -0.332282D+00  0.147696D+00 -0.184973D+01  0.767141D+00 -0.217308D+01
               181           182           183           184           185 
      1  -0.151590D+01  0.194525D+01  0.542764D+00  0.173975D+01 -0.213699D+01
      2   0.194525D+01 -0.167843D+01 -0.792307D+00 -0.213699D+01  0.833610D+01
      3   0.542764D+00 -0.792307D+00 -0.687472D+00 -0.826943D+00  0.277129D+01
               186           187           188           189           190 
      1  -0.826943D+00  0.691910D+00 -0.166278D+01 -0.132944D+01 -0.417317D+01
      2   0.277129D+01 -0.166278D+01  0.455666D+01  0.304043D+01  0.882117D+00
      3   0.191462D+01 -0.132944D+01  0.304043D+01  0.266121D+01  0.115223D+01
               191           192           193           194           195 
      1   0.882117D+00  0.115223D+01  0.185929D+01 -0.103681D+01 -0.794517D+00
      2  -0.103427D+01 -0.531601D+00 -0.103681D+01  0.213708D+01  0.898120D+00
      3  -0.531601D+00 -0.110911D+01 -0.794517D+00  0.898120D+00  0.933878D+00
               196           197           198           199           200 
      1   0.197425D+01 -0.912386D+00 -0.182747D+01 -0.761464D+01 -0.238119D+01
      2  -0.912386D+00  0.145782D+01  0.782492D+00 -0.238119D+01 -0.180682D+01
      3  -0.182747D+01  0.782492D+00  0.219220D+01 -0.249675D+01 -0.109180D+01
               201           202           203           204           205 
      1  -0.249675D+01 -0.259560D+01 -0.228520D+01 -0.111599D+01 -0.432482D+01
      2  -0.109180D+01 -0.228520D+01 -0.226818D+01 -0.834188D+00 -0.190339D+01
      3  -0.182159D+01 -0.111599D+01 -0.834188D+00 -0.854019D+00 -0.309439D+01
               206           207           208           209           210 
      1  -0.190339D+01 -0.309439D+01  0.130125D+01 -0.876289D+00 -0.549460D+00
      2  -0.935419D+00 -0.120493D+01 -0.876289D+00  0.121916D+01  0.666362D+00
      3  -0.120493D+01 -0.269050D+01 -0.549460D+00  0.666362D+00  0.616008D+00
               211           212           213           214           215 
      1  -0.115817D+01  0.234062D+00  0.385355D+00 -0.102726D+01  0.680742D+00
      2   0.234062D+00 -0.490624D+01 -0.145685D+01  0.680742D+00 -0.240722D+01
      3   0.385355D+00 -0.145685D+01 -0.131256D+01  0.274664D+00 -0.197131D+01
               216           217           218           219           220 
      1   0.274664D+00 -0.428492D+01 -0.290563D+01  0.152199D+01 -0.235872D+01
      2  -0.197131D+01 -0.290563D+01 -0.288200D+01  0.134983D+01 -0.285781D+01
      3  -0.217718D+01  0.152199D+01  0.134983D+01 -0.130524D+01  0.131165D+01
               221           222           223           224           225 
      1  -0.285781D+01  0.131165D+01  0.208511D+01  0.241287D+01 -0.194281D+01
      2  -0.544525D+01  0.180200D+01  0.241287D+01  0.300065D+01 -0.262878D+01
      3   0.180200D+01 -0.152539D+01 -0.194281D+01 -0.262878D+01  0.267030D+01
               226           227           228           229           230 
      1   0.239683D+01 -0.248099D+00  0.228238D+00 -0.163058D+01  0.128405D+01
      2  -0.248099D+00  0.308914D+01 -0.202340D+01  0.128405D+01 -0.357105D+01
      3   0.228238D+00 -0.202340D+01  0.149018D+01 -0.990127D+00  0.133443D+01
               231           232           233           234           235 
      1  -0.990127D+00  0.319914D+00 -0.119117D+01  0.741704D+00 -0.131379D+01
      2   0.133443D+01 -0.119117D+01  0.652051D+00 -0.833677D+00 -0.242698D+00
      3  -0.126130D+01  0.741704D+00 -0.833677D+00  0.172459D+01  0.103823D+01
               236           237           238           239           240 
      1  -0.242698D+00  0.103823D+01  0.520522D+00  0.120789D+01 -0.890834D+00
      2  -0.168161D+00 -0.238614D+00  0.120789D+01  0.197365D+01 -0.321395D+00
      3  -0.238614D+00 -0.148759D+01 -0.890834D+00 -0.321395D+00  0.139093D+01
               241           242           243           244           245 
      1   0.120303D+01  0.153311D+00 -0.129320D+01 -0.190686D+01  0.147191D+01
      2   0.153311D+00  0.110421D+01 -0.228563D+00  0.147191D+01 -0.167718D+01
      3  -0.129320D+01 -0.228563D+00  0.556657D+01 -0.463451D+00  0.107914D+01
               246           247           248           249           250 
      1  -0.463451D+00  0.352080D+01 -0.801385D+00  0.209247D+01  0.258660D-01
      2   0.107914D+01 -0.801385D+00  0.309455D+01 -0.107328D+01  0.111066D+01
      3  -0.810645D+00  0.209247D+01 -0.107328D+01  0.176984D+01 -0.585553D+00
               251           252           253           254           255 
      1   0.111066D+01 -0.585553D+00  0.224795D+01  0.507680D+00  0.484564D+00
      2  -0.932068D+00  0.929350D+00  0.507680D+00 -0.300362D+00  0.447595D+00
      3   0.929350D+00 -0.169414D+01  0.484564D+00  0.447595D+00  0.920964D+00
               256           257           258           259           260 
      1  -0.104891D+01 -0.674206D+00 -0.196235D+00 -0.122385D+01 -0.161162D+00
      2  -0.674206D+00 -0.109611D+01 -0.124576D+01 -0.161162D+00 -0.111667D+01
      3  -0.196235D+00 -0.124576D+01 -0.181846D+01 -0.571752D+00 -0.118775D+01
               261           262           263           264           265 
      1  -0.571752D+00 -0.518995D+01  0.268940D+00  0.235636D+01 -0.609222D+00
      2  -0.118775D+01  0.268940D+00 -0.202667D+01 -0.225084D+00  0.998358D-01
      3  -0.558403D+01  0.235636D+01 -0.225084D+00 -0.183451D+01  0.827660D+00
               266           267           268           269           270 
      1   0.998358D-01  0.827660D+00  0.158440D+01  0.493818D+00 -0.107736D+01
      2  -0.155122D+01 -0.826243D+00  0.493818D+00 -0.670665D+00 -0.253891D+00
      3  -0.826243D+00 -0.684780D+00 -0.107736D+01 -0.253891D+00  0.170871D+01
               271           272           273           274           275 
      1   0.617461D+00 -0.882372D+00  0.509206D+00 -0.742670D-01  0.925276D+00
      2  -0.882372D+00  0.229466D+01  0.120028D+01  0.925276D+00  0.121772D+00
      3   0.509206D+00  0.120028D+01  0.195249D+01  0.531102D+00  0.252184D+00
               276           277           278           279           280 
      1   0.531102D+00  0.995442D+00 -0.470487D-01  0.428160D+00  0.483377D+01
      2   0.252184D+00 -0.470487D-01  0.135300D+01  0.126609D+01  0.932962D+00
      3   0.605896D+00  0.428160D+00  0.126609D+01  0.559321D+01 -0.228478D+01
               281           282           283           284           285 
      1   0.932962D+00 -0.228478D+01  0.644794D+00  0.422458D+00 -0.199972D-01
      2   0.267162D+01 -0.104102D+01  0.422458D+00 -0.841247D+00  0.725587D+00
      3  -0.104102D+01  0.192829D+01 -0.199972D-01  0.725587D+00 -0.167818D+00
               286           287           288           289           290 
      1  -0.170473D+01 -0.142451D+00  0.112279D+01 -0.383597D+00 -0.113280D+00
      2  -0.142451D+00  0.721217D+00  0.577286D-01 -0.113280D+00 -0.239166D+01
      3   0.112279D+01  0.577286D-01 -0.173200D+01 -0.934372D+00  0.985038D+00
               291           292           293           294           295 
      1  -0.934372D+00  0.313227D+00 -0.893735D+00  0.346655D+00 -0.100717D+01
      2   0.985038D+00 -0.893735D+00 -0.919876D+00  0.997446D-01  0.397472D-01
      3  -0.200211D+01  0.346655D+00  0.997446D-01  0.114850D+00 -0.736725D+00
               296           297           298           299           300 
      1   0.397472D-01 -0.736725D+00  0.336193D+00  0.108109D+01 -0.266410D+00
      2  -0.134681D+01  0.108783D+01  0.108109D+01  0.142381D+01  0.741825D+00
      3   0.108783D+01 -0.558480D+01 -0.266410D+00  0.741825D+00  0.349795D+00
               301           302           303           304           305 
      1   0.336002D+01  0.110230D+01  0.177277D+01 -0.467250D+00  0.760935D+00
      2   0.110230D+01  0.400759D+01  0.180389D+01  0.760935D+00  0.141504D+01
      3   0.177277D+01  0.180389D+01  0.194142D+01  0.364828D+00  0.106660D+01
               306           307           308           309           310 
      1   0.364828D+00 -0.192743D+01 -0.330811D+00 -0.426929D+00 -0.191646D+01
      2   0.106660D+01 -0.330811D+00  0.544385D+00  0.846235D-02  0.517753D+00
      3   0.172420D+01 -0.426929D+00  0.846235D-02 -0.446840D+00 -0.650506D+00
               311           312           313           314           315 
      1   0.517753D+00 -0.650506D+00  0.129560D+01 -0.126169D+00  0.861248D+00
      2  -0.632732D+00  0.120232D+01 -0.126169D+00  0.104408D+01 -0.100755D+01
      3   0.120232D+01 -0.199288D+01  0.861248D+00 -0.100755D+01  0.558023D+01
               316           317           318           319           320 
      1  -0.192832D+01  0.113771D+00  0.427481D+00 -0.163509D+01 -0.649143D+00
      2   0.113771D+00 -0.200618D+01 -0.156244D+01 -0.649143D+00 -0.472350D+01
      3   0.427481D+00 -0.156244D+01 -0.110699D+01 -0.558656D+00 -0.199358D+01
               321           322           323           324           325 
      1  -0.558656D+00  0.251659D+00 -0.961230D+00 -0.489924D+00  0.102061D+01
      2  -0.199358D+01 -0.961230D+00 -0.120163D+01 -0.984873D+00  0.390940D+00
      3  -0.159177D+01 -0.489924D+00 -0.984873D+00 -0.170608D+01 -0.704369D+00
               326           327           328           329           330 
      1   0.390940D+00 -0.704369D+00  0.148354D+01 -0.131780D+01 -0.112799D+01
      2  -0.179976D+00 -0.479530D+00 -0.131780D+01  0.125920D+01 -0.705561D-01
      3  -0.479530D+00  0.110128D+01 -0.112799D+01 -0.705561D-01  0.170319D+01
               331           332           333 
      1  -0.129258D+01  0.116358D+00  0.131744D+01
      2   0.116358D+00 -0.104013D+01  0.996371D-01
      3   0.131744D+01  0.996371D-01 -0.558119D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.496020D+01 -0.606003D+01 -0.393290D+01 -0.745625D+01  0.376814D+01
      2   0.602020D+01  0.547362D+01  0.607456D+01  0.591631D+01 -0.443855D+01
      3   0.342766D+01 -0.587820D+01  0.130243D+01 -0.317392D+00  0.350228D+01
                 6             7             8             9            10 
      1   0.138955D+01 -0.505216D+01  0.273889D+01  0.190432D+01 -0.771095D+00
      2  -0.162053D+01  0.270195D+01  0.306822D+00 -0.177066D+01 -0.416635D+00
      3   0.993017D+01 -0.672810D+00  0.139069D+02  0.497760D+01 -0.163780D+01
                11            12            13            14            15 
      1   0.521503D+01 -0.160191D+00  0.526173D+01  0.197580D+01 -0.491324D+01
      2  -0.105435D+02 -0.342610D+00 -0.892983D+01 -0.135502D+01  0.563560D+01
      3   0.508136D-01  0.990749D+01  0.507508D+01 -0.528374D+01 -0.163974D+01
                16            17            18            19            20 
      1  -0.121045D+01 -0.871504D+00 -0.115643D+01  0.276101D+01 -0.110549D+02
      2  -0.116288D+01  0.587969D+01  0.217344D+01  0.243765D+02  0.447453D+01
      3   0.129786D+02 -0.427600D+01 -0.491689D+01 -0.102378D+02  0.931915D+01
                21            22            23            24            25 
      1   0.472492D+01 -0.220947D+02 -0.205689D+01 -0.121343D+02  0.402247D+01
      2   0.965718D+00 -0.236114D+01  0.710597D+00 -0.834409D+01 -0.319029D+02
      3  -0.716229D+01  0.357629D+02  0.627418D+01  0.146419D+02 -0.132761D+01
                26            27            28            29            30 
      1  -0.235262D+00 -0.893798D-01 -0.589373D+00  0.301081D+00 -0.143458D+00
      2  -0.111097D+02 -0.224123D+02  0.616861D+00  0.228598D+00 -0.832612D+01
      3   0.737315D+01  0.363749D+01  0.521712D+00  0.162244D+02  0.221955D+00
                31            32            33            34            35 
      1   0.133983D+00  0.107817D+00  0.859982D+01 -0.121466D+00 -0.215444D+02
      2   0.242417D+00 -0.525075D+00 -0.981126D-01  0.217992D+02 -0.161168D+00
      3  -0.163339D+02  0.226950D+00  0.257744D+00  0.325561D+00  0.131338D+00
                36            37            38            39            40 
      1  -0.215636D+00  0.196382D+00 -0.142916D+01  0.101754D+02  0.803214D+01
      2   0.528355D-01 -0.105529D+02 -0.188320D+02  0.803042D+01 -0.999595D+01
      3   0.208505D+00 -0.165993D+02 -0.283936D+02  0.121565D+02 -0.195067D+01
                41            42            43            44            45 
      1   0.241844D+02 -0.507585D+01  0.184211D+02  0.259485D+02 -0.217190D+02
      2   0.452605D+01 -0.663924D+01 -0.593718D+01 -0.113381D+02  0.588372D+01
      3   0.205231D+02 -0.107199D+02  0.668747D+01 -0.327044D+01 -0.360671D+01
                46            47            48            49            50 
      1   0.167343D+00 -0.997802D+01 -0.910707D+00 -0.224264D+02 -0.659162D+01
      2   0.237254D+02 -0.125973D+01 -0.158118D+01  0.263480D+01  0.771260D-02
      3  -0.255608D+01  0.103700D+02  0.297143D+01  0.368240D+02  0.581475D+01
                51            52            53            54            55 
      1  -0.146174D+02  0.498701D+01 -0.191190D+01  0.585989D+01 -0.671293D+00
      2   0.467341D+01 -0.339494D+02  0.235873D+01 -0.217422D+02 -0.597607D+01
      3   0.159045D+02 -0.791912D+00  0.738048D+01 -0.380083D+01  0.418885D+00
                56            57            58            59            60 
      1   0.267125D+01  0.102513D+01  0.315965D+01 -0.317037D+00 -0.315340D+01
      2   0.107619D+02  0.112854D+01  0.935919D+01  0.345375D+01 -0.644608D+01
      3  -0.107987D+01 -0.932093D+01  0.394097D+01  0.607401D+01 -0.406045D+01
                61            62            63            64            65 
      1   0.135502D+01  0.921406D+00  0.558104D+00  0.561842D+01 -0.259566D+01
      2   0.899987D+00 -0.605795D+01  0.241855D+01  0.103790D+02 -0.318657D+01
      3  -0.117785D+02 -0.752296D+01  0.494793D+01 -0.191184D+01 -0.525946D+01
                66            67            68            69            70 
      1   0.199174D+01 -0.386886D+01 -0.461522D+01  0.169402D+01  0.329136D+01
      2   0.617848D+01 -0.372978D+01 -0.794819D+01  0.377590D+01  0.366978D+01
      3  -0.369872D+01 -0.365237D+00 -0.480241D+01  0.945307D+01 -0.297701D+01
                71            72            73            74            75 
      1   0.383259D+01 -0.125065D+01  0.963715D+00  0.577441D+00 -0.989678D+01
      2   0.161230D+01 -0.195237D+01 -0.170054D+02  0.139276D+02  0.369305D+01
      3   0.137124D+02 -0.514158D+01  0.217444D+02 -0.173146D+02 -0.909243D+01
                76            77            78            79            80 
      1   0.120020D+02 -0.230188D+02 -0.942327D+01 -0.213899D+02  0.172888D+02
      2   0.773572D+01  0.487887D+01  0.626924D+01 -0.144859D+02  0.141584D+02
      3   0.911878D+01 -0.255006D+02 -0.135015D+02 -0.563950D+01 -0.476228D+01
                81            82            83            84            85 
      1   0.194090D+02 -0.181083D+01  0.347563D+01 -0.115298D+00  0.312515D+01
      2   0.110495D+02 -0.145228D+02 -0.202170D+02  0.149017D+02 -0.729720D+01
      3   0.371388D+01 -0.173784D+02 -0.316194D+02  0.161465D+02 -0.518447D+01
                86            87            88            89            90 
      1   0.231851D+02  0.173802D+01  0.668430D+01  0.305070D+02 -0.194215D+02
      2   0.146207D+01 -0.343974D+01 -0.114921D+01 -0.136530D+02  0.111747D+02
      3   0.135351D+02 -0.121772D+01  0.707868D+01 -0.242561D+01  0.348143D+01
                91            92            93            94            95 
      1   0.802237D+01  0.607713D+01  0.667046D+01  0.732604D+01 -0.102073D+02
      2  -0.952180D+00  0.939964D+00  0.110153D+01  0.249822D+00  0.714017D+00
      3  -0.638133D+01 -0.256342D+01 -0.627556D+01  0.268610D+01 -0.242432D+00
                96            97            98            99           100 
      1  -0.325177D+01  0.511669D+01 -0.258080D+01  0.280916D+01 -0.961827D+01
      2  -0.977473D+00 -0.271304D+01 -0.354324D+00 -0.145712D+00 -0.304147D+01
      3  -0.792661D+01 -0.106218D+02 -0.935527D+01 -0.496645D+01  0.576569D+01
               101           102           103           104           105 
      1   0.973664D+00 -0.554931D+01  0.198251D+01  0.119282D+02 -0.490995D+01
      2  -0.118477D+01 -0.634186D+00 -0.551358D-01  0.336899D+01  0.394261D-01
      3  -0.854499D+00  0.817166D+01  0.421242D+01  0.771990D+00 -0.594907D+01
               106           107           108           109           110 
      1  -0.344593D+01 -0.361958D+01 -0.247476D+01  0.377984D+01  0.519229D+01
      2  -0.366252D+01 -0.126210D+01 -0.746881D+00 -0.198509D+02  0.163452D+02
      3   0.126780D+02 -0.647060D+01  0.495168D+01  0.243150D+02 -0.216758D+02
               111           112           113           114           115 
      1  -0.375714D+01  0.811189D+01 -0.211723D+02 -0.127861D+00 -0.126270D+02
      2   0.130939D+02  0.358625D+01  0.201514D+01  0.740460D+01 -0.824194D+01
      3  -0.153592D+02  0.499153D+01 -0.207874D+02 -0.537900D+01 -0.615730D+01
               116           117           118           119           120 
      1   0.237757D+02  0.160046D+02  0.103506D+01  0.116373D+01 -0.156318D+01
      2   0.198797D+02  0.159713D+02  0.888899D+00  0.140032D+01 -0.555443D+00
      3  -0.440362D+01 -0.369531D+01  0.591204D+01  0.336232D+01 -0.237935D+01
               121           122           123           124           125 
      1   0.492897D+00  0.487268D+01 -0.503712D+01  0.134305D+00 -0.395176D+01
      2   0.831070D+00  0.530320D+01 -0.387009D+01 -0.166249D+01 -0.530629D+01
      3   0.403273D+01  0.129864D+02 -0.546562D+01 -0.387198D+01 -0.872748D+01
               126           127           128           129           130 
      1   0.633320D+01 -0.271152D+01  0.154552D+01  0.323257D+01  0.823615D+00
      2   0.704020D+01 -0.252456D+01  0.266908D+01  0.495888D+01  0.122257D+01
      3   0.518958D+01 -0.475853D+01 -0.244416D+01  0.540669D+00 -0.753903D+00
               131           132           133           134           135 
      1  -0.232394D+00 -0.262281D+01  0.218283D+01 -0.631690D+00 -0.435198D+01
      2  -0.130683D+01 -0.329750D+01  0.859159D+00 -0.217052D+01 -0.617405D+01
      3   0.412290D+01  0.820740D+00  0.359013D+01 -0.494247D+00  0.257109D+00
               136           137           138           139           140 
      1   0.105987D+00 -0.257436D+00 -0.900926D-01 -0.186494D+00 -0.334305D+00
      2  -0.277209D+01 -0.247596D+01  0.352536D+01 -0.325368D+01 -0.558183D+01
      3  -0.568860D+01 -0.396196D+01  0.220086D+01 -0.326798D+01 -0.130417D+02
               141           142           143           144           145 
      1  -0.102722D+01 -0.224303D+00  0.157726D+01 -0.537600D+00  0.891656D+00
      2   0.532271D+01  0.401431D+01  0.522195D+01 -0.934226D+01  0.472758D+01
      3   0.550528D+01  0.338897D+01  0.874744D+01 -0.503065D+01 -0.130103D+01
               146           147           148           149           150 
      1   0.721818D+00  0.127735D+01  0.211560D+00 -0.258374D+00 -0.571389D+00
      2  -0.506590D+00  0.722176D+01 -0.200767D+01  0.139882D+00 -0.132664D+01
      3  -0.528832D+01 -0.280347D+00 -0.365472D+01  0.204010D+01 -0.936131D+00
               151           152           153           154           155 
      1   0.133772D+00  0.141649D+01  0.127492D+01 -0.684185D+01 -0.219867D+01
      2   0.287813D+01 -0.206374D+00  0.728385D+01  0.141523D+01  0.553089D+00
      3   0.285951D+01 -0.216646D+01 -0.195195D+00  0.144160D+02  0.838608D+00
               156           157           158           159           160 
      1  -0.569273D+01 -0.134260D+01 -0.167220D+01 -0.184108D+01 -0.640705D+01
      2   0.261912D+01  0.238271D+00  0.615757D+00  0.286520D+00  0.201685D+00
      3   0.596275D+01  0.146644D+01  0.470399D+01  0.622952D+00  0.956591D+01
               161           162           163           164           165 
      1  -0.211238D+01 -0.934097D+01 -0.680920D-01 -0.450654D+00 -0.671742D+00
      2   0.123377D+01  0.198941D+01  0.795491D-01  0.679891D+00  0.331370D+00
      3   0.903553D+00  0.518191D+01  0.476163D+00  0.411761D+01 -0.113762D+01
               166           167           168           169           170 
      1   0.992235D+00  0.495601D+01 -0.734752D+01 -0.942045D+00 -0.264155D+01
      2   0.697944D+00 -0.743849D+00  0.586754D+00 -0.121266D+01  0.973202D+00
      3   0.553581D+01 -0.108578D+01  0.850334D-02 -0.135411D+01  0.333136D+01
               171           172           173           174           175 
      1   0.726695D+01  0.661291D+01 -0.525959D+00  0.503860D+01  0.157395D+00
      2  -0.673025D+00  0.332943D+01 -0.406602D+00  0.398766D+01  0.152017D-01
      3   0.221504D+00 -0.141824D+02 -0.170744D+01 -0.588461D+01 -0.118100D+01
               176           177           178           179           180 
      1   0.931148D+00 -0.523552D+00  0.630302D+01 -0.207881D+00  0.837871D+01
      2   0.749886D+00  0.194687D+00  0.216171D+01 -0.126469D+01  0.419821D+01
      3  -0.458783D+01 -0.908039D+00 -0.943728D+01 -0.141115D+01 -0.506694D+01
               181           182           183           184           185 
      1  -0.329041D+00  0.778456D+00  0.228509D+01  0.229076D+01 -0.417688D+01
      2   0.256330D+00 -0.127396D+00  0.114443D+01  0.173566D+00 -0.212979D+01
      3  -0.261224D+01  0.296391D+01  0.931747D+00  0.457044D+01  0.321195D+01
               186           187           188           189           190 
      1  -0.666025D+01  0.179116D+01 -0.197720D+01 -0.692448D+01  0.119654D+01
      2  -0.223637D+01 -0.468877D+00 -0.181034D+01 -0.251226D+01 -0.439666D+01
      3   0.213253D+00  0.442279D+00  0.354712D+01 -0.246576D+00  0.791241D+01
               191           192           193           194           195 
      1  -0.986634D+00 -0.836170D+00 -0.115662D+01  0.130543D+01  0.167110D+00
      2   0.240613D+01  0.454518D+01  0.325811D+01 -0.389553D+01 -0.444323D+01
      3  -0.509076D+01 -0.339977D+01 -0.458420D+01  0.111917D+02  0.482742D+01
               196           197           198           199           200 
      1  -0.146006D+01  0.254639D+01  0.290714D+01 -0.196003D+01 -0.364500D-01
      2   0.490979D+01 -0.361320D+01 -0.901027D+01  0.341222D+01  0.151429D+01
      3  -0.540321D+01  0.750017D+01  0.509435D+01  0.335656D+01 -0.380752D+01
               201           202           203           204           205 
      1  -0.265875D+01 -0.826190D+00  0.198501D+00 -0.160540D+01 -0.120286D+01
      2   0.598650D+01  0.264785D+01  0.104756D+01  0.268919D+01  0.250916D+01
      3   0.487667D+00 -0.219270D+01 -0.402652D+01 -0.816590D+00 -0.209801D+01
               206           207           208           209           210 
      1   0.999815D+00 -0.314424D+01 -0.207479D+01  0.243074D+01  0.300063D+01
      2   0.128567D+01  0.683450D+01  0.127700D+01 -0.168797D+01 -0.738601D+00
      3  -0.278011D+01  0.198039D+00 -0.826642D+01  0.454782D+01  0.364128D+01
               211           212           213           214           215 
      1   0.166122D+01 -0.516772D+01 -0.512350D+01  0.154288D+01 -0.490945D+01
      2  -0.132564D+01  0.323551D+01  0.230904D+01 -0.255608D+01  0.352857D+01
      3   0.510371D+01 -0.108429D+02 -0.461680D+01  0.585674D+01 -0.730578D+01
               216           217           218           219           220 
      1  -0.786572D+01  0.214074D+01  0.244203D+01 -0.345580D+01  0.141262D+01
      2   0.516587D+01 -0.672440D+00 -0.189045D+01  0.322051D+01 -0.875458D+00
      3  -0.510498D+01  0.527293D+01  0.134208D+00 -0.801374D+00  0.140382D+01
               221           222           223           224           225 
      1   0.147595D+01 -0.433832D+01 -0.200934D+01 -0.171357D+01  0.569926D+01
      2  -0.206735D+01  0.348422D+01 -0.150999D+00  0.198766D+01 -0.479272D+01
      3  -0.456969D+01  0.856745D+00 -0.324417D+01 -0.128376D+01 -0.256588D+00
               226           227           228           229           230 
      1   0.662423D+00  0.483423D+01 -0.589412D-01  0.105437D+01 -0.135381D+01
      2  -0.569919D+01  0.541593D+01 -0.269478D+01  0.363356D+01 -0.352367D+01
      3  -0.716975D+01  0.773170D+01 -0.461979D+01  0.572454D+01 -0.518445D+01
               231           232           233           234           235 
      1  -0.126973D+01  0.135832D+01 -0.681718D+00  0.103035D+01  0.200502D+01
      2   0.276806D+01 -0.257284D+01  0.129513D+01 -0.237136D+01  0.568372D+00
      3   0.282045D+01 -0.116182D+01  0.113172D+01 -0.285798D+01  0.154346D+01
               236           237           238           239           240 
      1  -0.138511D+01 -0.343245D+01 -0.308246D+01 -0.307630D+01  0.609196D+01
      2   0.173328D+00  0.577170D+00 -0.155730D+01 -0.152189D+01 -0.857019D-01
      3  -0.154548D+01 -0.191746D+01 -0.230481D+01 -0.352010D+01  0.308326D+01
               241           242           243           244           245 
      1  -0.271294D+01  0.114004D+01  0.114878D+02 -0.135427D+01  0.267604D+01
      2  -0.162550D+01 -0.113181D+00 -0.276004D+01  0.590034D+00  0.464684D+00
      3  -0.232091D+01 -0.187001D+00  0.249602D+01  0.199730D+01 -0.425429D+01
               246           247           248           249           250 
      1  -0.158322D+01  0.546102D+01 -0.773242D+01  0.319233D+01 -0.432198D+00
      2   0.168115D+01  0.361173D+01  0.111007D+01 -0.113608D+01  0.478502D+00
      3   0.156419D+01 -0.636261D+01  0.103344D+02 -0.525978D+01  0.790057D+00
               251           252           253           254           255 
      1   0.231752D+01 -0.198547D+01 -0.268802D+01 -0.127566D+01 -0.136682D+01
      2  -0.221642D+01  0.158584D+01 -0.318175D+01 -0.110876D+01 -0.471193D+01
      3  -0.137031D+01  0.285125D+01  0.412673D+01  0.694879D+00  0.242543D+01
               256           257           258           259           260 
      1   0.902249D+00  0.157382D+01  0.769110D+00  0.422342D+00  0.225327D+01
      2  -0.134005D-01  0.248516D+01  0.491890D+01 -0.597776D+00  0.236622D+01
      3  -0.806561D-01 -0.218887D+01 -0.271218D+01 -0.789292D+00 -0.221374D+01
               261           262           263           264           265 
      1   0.401384D+00 -0.519110D+01 -0.261258D+01  0.379641D+01 -0.229193D+01
      2   0.118073D+02  0.697395D+01 -0.145020D-01 -0.945014D+00  0.418836D+01
      3  -0.247170D+01 -0.114688D+02 -0.315363D+01  0.478216D+01 -0.520467D+01
               266           267           268           269           270 
      1  -0.232787D+01  0.527462D+00  0.277554D+01  0.179862D+01 -0.256676D+01
      2  -0.179537D+01 -0.110876D+01 -0.417375D-01 -0.108264D+00  0.313197D+00
      3  -0.739524D+00  0.266018D+01  0.159001D+01  0.443116D+00 -0.288743D+01
               271           272           273           274           275 
      1  -0.432261D+00 -0.198783D+00 -0.377651D+01 -0.889284D+00  0.526978D-01
      2  -0.907408D-02 -0.458824D+01 -0.586351D+01 -0.228412D+01  0.129081D+01
      3  -0.557262D+00  0.347848D+01  0.360112D+01  0.277243D+01 -0.137360D+01
               276           277           278           279           280 
      1  -0.341749D+00 -0.522041D+00  0.423080D+00 -0.809460D+01  0.413167D+01
      2   0.246792D+00 -0.236082D+01 -0.234004D+01 -0.859181D+01  0.871127D+01
      3   0.153293D+00  0.971819D+00  0.217904D+01  0.249786D+01  0.127382D+02
               281           282           283           284           285 
      1  -0.217031D+01 -0.334228D+01 -0.776410D+00  0.188779D+01 -0.667836D+00
      2   0.193738D+01 -0.211662D+01 -0.200042D+01 -0.181987D+01  0.644733D+00
      3   0.431808D-01 -0.527494D+01 -0.196890D+01 -0.612268D+00  0.131392D+01
               286           287           288           289           290 
      1  -0.302523D+01  0.974962D+00  0.241140D+01  0.102871D+01 -0.101470D+01
      2  -0.911450D+00  0.311901D+00  0.950894D+00 -0.131790D+01  0.373337D+01
      3  -0.169651D+01 -0.121799D-01  0.291264D+01 -0.858298D+00  0.290190D+01
               291           292           293           294           295 
      1   0.496148D+01 -0.109326D+01 -0.102790D+01  0.105341D+01  0.111494D+01
      2  -0.442465D+01  0.137536D+01  0.268262D+01 -0.142770D+01 -0.265824D+01
      3  -0.350593D+01  0.218167D+01  0.282238D+01 -0.720572D+00 -0.149304D+01
               296           297           298           299           300 
      1   0.198871D+00  0.998854D+01 -0.715084D+00  0.588592D+00  0.369681D+00
      2   0.167575D+01 -0.619710D+01  0.152311D+01 -0.118823D+00  0.152306D+01
      3   0.180752D+01 -0.245591D+01  0.964882D-01 -0.150248D+01 -0.193730D+00
               301           302           303           304           305 
      1   0.403944D+01  0.909827D+01  0.290224D+01 -0.274483D-01  0.165823D+01
      2  -0.254808D+01  0.244768D+01  0.239849D+01 -0.134688D+00  0.276455D+01
      3  -0.346088D+01 -0.125010D+02 -0.540061D+01 -0.526730D+00 -0.150466D+01
               306           307           308           309           310 
      1   0.160272D+01  0.314973D+01 -0.183575D+00  0.188864D+01  0.216644D+01
      2   0.205522D+01 -0.223128D+01 -0.320240D+00 -0.295212D+01 -0.910531D+00
      3  -0.291691D+01 -0.378803D+01 -0.802618D+00 -0.167842D+01 -0.155960D+01
               311           312           313           314           315 
      1  -0.194220D+01  0.256190D+01 -0.100987D+01  0.263074D+01 -0.337206D+01
      2   0.204180D+01 -0.547638D+01 -0.172554D+00 -0.183169D+01  0.112968D+02
      3   0.198797D+01 -0.322792D+01  0.136126D+01 -0.192513D+01  0.249486D+01
               316           317           318           319           320 
      1  -0.113912D+01  0.511026D+01  0.948149D+00  0.101795D+01  0.398129D+01
      2  -0.365911D+01 -0.421255D+01 -0.177821D+01 -0.334751D+01 -0.502808D+01
      3   0.359819D+01  0.731509D+01  0.384176D+01  0.522503D+01  0.855519D+01
               321           322           323           324           325 
      1  -0.297254D+00 -0.482619D+00 -0.506270D+00 -0.400732D+00 -0.543257D+00
      2  -0.359588D+01 -0.239368D+01 -0.209549D+01 -0.251151D+01 -0.657282D-01
      3   0.396685D+01  0.870982D+00  0.140389D+01  0.278696D+01 -0.271513D+00
               326           327           328           329           330 
      1  -0.236059D+01  0.160828D+01 -0.435025D+01  0.178490D+01  0.641705D+01
      2  -0.403702D+00  0.952728D+00  0.874723D+00 -0.606235D+00  0.192134D+01
      3  -0.252020D+01  0.111268D+01 -0.324562D+01  0.219953D+01  0.343535D+01
               331           332           333 
      1   0.265345D+01  0.177234D+01 -0.104032D+02
      2  -0.101248D+01  0.184699D+00 -0.555618D+01
      3   0.232755D+01  0.369568D+00 -0.248195D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.280230D+01 -0.280298D+01 -0.887646D+00 -0.657256D+00  0.552444D+01
      2  -0.356991D+01 -0.700593D+00  0.128247D+02  0.137801D+00 -0.122654D+02
      3   0.767604D+00  0.350358D+01 -0.119370D+02  0.519456D+00  0.674101D+01
      4  -0.680366D+01 -0.131472D+02  0.171471D+02 -0.859346D+01 -0.138071D+02
      5   0.685711D+01  0.137322D+02 -0.342855D+01  0.136563D+02  0.519031D+01
      6   0.893647D+01  0.168444D+02 -0.105202D+01  0.166647D+02  0.684969D+00
                 6             7             8             9            10 
      1   0.149833D+02 -0.439219D+01  0.155245D+02  0.751957D+01 -0.203749D+02
      2  -0.948390D+01  0.148716D+02 -0.109274D+02 -0.113277D+02  0.129276D+02
      3  -0.549936D+01 -0.104794D+02 -0.459707D+01  0.380810D+01  0.744738D+01
      4   0.139608D+02  0.195252D+02  0.183147D+02 -0.830974D+01 -0.124259D+02
      5  -0.823434D+01 -0.311234D+01 -0.101981D+02  0.188868D+01 -0.127936D+02
      6  -0.101844D+02 -0.269154D+01 -0.154289D+02  0.132408D+01 -0.937665D+01
                11            12            13            14            15 
      1  -0.796161D+00 -0.481381D+01 -0.522032D+01 -0.447485D+01 -0.202615D+02
      2   0.188192D+01 -0.361728D+01  0.299578D+01  0.434961D+01  0.102038D+02
      3  -0.108576D+01  0.843109D+01  0.222454D+01  0.125238D+00  0.100577D+02
      4  -0.579696D+01 -0.206717D+02 -0.999611D+01  0.936095D+00 -0.582499D+01
      5  -0.192142D+02 -0.122136D+02 -0.193825D+02  0.608948D+00  0.118793D+01
      6  -0.745432D+01 -0.592352D+01 -0.748037D+01  0.310766D+00 -0.155214D+01
                16            17            18            19            20 
      1  -0.744545D+01 -0.227696D+02 -0.145225D+02  0.758465D+01  0.205746D+01
      2  -0.157816D+00  0.138366D+02  0.104905D+02 -0.542401D+01 -0.613520D+01
      3   0.760327D+01  0.893305D+01  0.403198D+01 -0.216064D+01  0.407774D+01
      4  -0.252865D+02 -0.564448D+01 -0.275917D+01  0.159845D+02  0.739234D+00
      5  -0.183834D+02  0.946830D+00 -0.183223D+01  0.972766D+01  0.116878D+02
      6  -0.648123D+01 -0.874064D+00 -0.150698D+01  0.378312D+01 -0.728884D+00
                21            22            23            24            25 
      1   0.302980D+01  0.491100D+01 -0.322685D+01  0.114960D+02 -0.987166D+00
      2  -0.209277D+01 -0.587643D+01  0.319804D+01 -0.190294D+01 -0.795365D+00
      3  -0.937022D+00  0.965430D+00  0.288162D-01 -0.959302D+01  0.178253D+01
      4   0.134155D+02  0.471283D+01  0.703199D+01  0.103098D+01  0.753049D+01
      5   0.724749D+01  0.107390D+02 -0.404754D+01  0.162746D+01  0.434335D+01
      6   0.438214D+01 -0.153180D+01  0.152221D+01 -0.180297D+01  0.246271D+01
                26            27            28            29            30 
      1   0.105120D+02  0.669412D+01 -0.139017D+02 -0.335702D-01  0.505917D+01
      2  -0.324677D+01  0.183334D+00  0.310334D+01  0.637090D-01 -0.504088D+01
      3  -0.726519D+01 -0.687745D+01  0.107983D+02 -0.301388D-01 -0.182820D-01
      4  -0.281474D+00  0.672502D-01 -0.271264D-01 -0.849964D+01  0.199478D+01
      5  -0.611950D+00 -0.280171D+01  0.249821D+01  0.101842D+01 -0.353489D+01
      6  -0.133038D+01 -0.531123D+01  0.992902D+00 -0.254571D+01  0.205669D-01
                31            32            33            34            35 
      1  -0.177457D-01  0.301599D+01  0.204988D+01  0.749352D+01  0.305616D+01
      2   0.338917D-01 -0.137374D+02 -0.204120D+01 -0.747935D+01 -0.303732D+01
      3  -0.161461D-01  0.107214D+02 -0.867785D-02 -0.141694D-01 -0.188384D-01
      4  -0.846581D+01  0.608717D-01 -0.504842D+01  0.303372D+01 -0.748722D+01
      5   0.975297D+00 -0.253528D+01  0.209770D-01  0.343601D+01  0.226627D-01
      6  -0.256265D+01 -0.109772D+01 -0.349708D+01 -0.562939D-02  0.342533D+01
                36            37            38            39            40 
      1   0.120570D+01  0.423292D+01 -0.285617D+01 -0.910146D+00 -0.535174D+01
      2   0.118555D+01 -0.537835D+01  0.285674D+01 -0.853268D+01  0.220197D+01
      3  -0.239124D+01  0.114543D+01 -0.567070D-03  0.944283D+01  0.314977D+01
      4   0.234813D-01  0.780309D+01  0.936558D+01 -0.758331D+01  0.537728D+01
      5  -0.137037D-01 -0.178862D+01 -0.257124D+01  0.498035D+00 -0.366580D+01
      6  -0.370169D-01 -0.227338D+01 -0.124222D+02  0.356710D+01 -0.130853D+02
                41            42            43            44            45 
      1   0.580227D+01 -0.499121D+01  0.150285D+01 -0.371636D+01  0.754553D+00
      2  -0.239171D+01  0.665156D+01 -0.817482D+01  0.723691D+01  0.618653D+01
      3  -0.341056D+01 -0.166035D+01  0.667197D+01 -0.352055D+01 -0.694108D+01
      4   0.137445D+02 -0.112192D+02 -0.495883D+01 -0.550478D+01  0.174448D+01
      5  -0.484753D+01  0.626047D+01 -0.455076D+00  0.381018D+01  0.581763D+01
      6  -0.188797D+01  0.511372D+01  0.796015D+00  0.338395D+01  0.134912D+01
                46            47            48            49            50 
      1   0.159945D+02  0.211646D+01  0.117783D+02 -0.265682D+01 -0.453827D+00
      2  -0.149771D+02  0.225359D+01 -0.844901D+01  0.377239D+01  0.187610D+01
      3  -0.101742D+01 -0.437005D+01 -0.332933D+01 -0.111557D+01 -0.142227D+01
      4  -0.104418D+02 -0.204766D+01 -0.945336D+01  0.827254D+00 -0.794631D+01
      5   0.145977D+02 -0.634243D+01  0.809161D+01 -0.518116D+01 -0.783570D+01
      6   0.729836D+00 -0.281427D+01 -0.180332D+01 -0.340663D+01 -0.426009D+01
                51            52            53            54            55 
      1  -0.836809D+01  0.525224D+01 -0.862492D+01  0.617805D+01 -0.251170D+02
      2  -0.553232D+00 -0.489316D+01  0.108751D+01  0.697017D+00  0.183421D+02
      3   0.892132D+01 -0.359076D+00  0.753741D+01 -0.687507D+01  0.677489D+01
      4  -0.500861D+01 -0.561030D+01 -0.526036D+01  0.150174D+01  0.547698D+01
      5   0.796403D+00  0.422470D+01  0.200199D+01 -0.411804D+01 -0.243434D+02
      6  -0.266443D+01 -0.999688D+00 -0.147514D+01  0.437330D+01  0.659288D+01
                56            57            58            59            60 
      1  -0.196477D+01 -0.203040D+02  0.337161D+01 -0.167272D+01  0.168690D+02
      2  -0.819388D+00  0.934171D+01 -0.314682D+01  0.130030D+01 -0.921021D+01
      3   0.278416D+01  0.109623D+02 -0.224788D+00  0.372426D+00 -0.765882D+01
      4  -0.233033D+01  0.167178D+02 -0.462968D+01 -0.508928D+01  0.676323D+01
      5   0.142338D+02 -0.129565D+02  0.144220D+02  0.967607D+01 -0.393261D+01
      6  -0.640944D+00  0.309129D+01 -0.571386D+00 -0.965724D+00 -0.111561D+01
                61            62            63            64            65 
      1  -0.248652D+02  0.178492D+02 -0.142764D+02 -0.468001D+01  0.865428D+01
      2   0.150450D+02 -0.109758D+02  0.102841D+02  0.243751D+01 -0.396709D+01
      3   0.982018D+01 -0.687339D+01  0.399220D+01  0.224250D+01 -0.468720D+01
      4   0.189077D+02  0.916111D+01 -0.385224D+01  0.128391D+02 -0.122535D+02
      5  -0.185982D+02 -0.569165D+01 -0.218655D+01  0.176000D+02 -0.148661D+02
      6   0.182415D+01 -0.580973D+00  0.989244D+00 -0.129838D+02  0.967535D+01
                66            67            68            69            70 
      1   0.134306D+02  0.492511D+01  0.938725D+00 -0.177989D+02  0.125721D+02
      2  -0.162168D+00 -0.317381D+01 -0.595978D+01  0.155320D+02 -0.924873D+00
      3  -0.132684D+02 -0.175129D+01  0.502105D+01  0.226689D+01 -0.116472D+02
      4  -0.197897D+02 -0.833978D+01  0.105072D+02  0.131458D+01 -0.240871D+02
      5  -0.626190D+01 -0.146179D+02 -0.334526D+01  0.944315D+01 -0.760046D+01
      6   0.209048D+01  0.929567D+01  0.655998D+01 -0.757283D+01  0.517085D+01
                71            72            73            74            75 
      1  -0.208695D+02  0.205234D+01  0.769753D+01 -0.318724D+01 -0.740286D+01
      2   0.190292D+02 -0.606997D+01 -0.934537D+01  0.190133D+01 -0.133735D+01
      3   0.184030D+01  0.401763D+01  0.164784D+01  0.128591D+01  0.874021D+01
      4   0.382228D+01  0.123517D+02 -0.871997D+01  0.976738D+01  0.987784D+01
      5   0.128406D+02  0.242726D+01 -0.558312D+01  0.549077D+01  0.311928D+01
      6  -0.117654D+02 -0.954453D+00  0.720294D+01 -0.961807D+01 -0.403938D+01
                76            77            78            79            80 
      1   0.120703D+01  0.116518D+02  0.814438D+01 -0.290335D+01  0.496663D+01
      2   0.716133D+00 -0.780085D+01 -0.121195D+02 -0.257577D+01 -0.101275D+02
      3  -0.192316D+01 -0.385094D+01  0.397508D+01  0.547912D+01  0.516084D+01
      4   0.675066D+01 -0.568550D+01 -0.456814D+01  0.689995D+01 -0.240563D+00
      5   0.673553D+01 -0.190248D+01 -0.674235D+01  0.858090D+00 -0.444664D+01
      6  -0.100239D+02 -0.493995D+01  0.236587D+01 -0.135903D+01  0.208479D+01
                81            82            83            84            85 
      1   0.182498D+01 -0.211987D+01 -0.555722D+00  0.652892D+01 -0.308493D+01
      2   0.499426D+01  0.487674D+01  0.123340D+01  0.120068D+01  0.686045D+01
      3  -0.681924D+01 -0.275687D+01 -0.677678D+00 -0.772960D+01 -0.377553D+01
      4  -0.279969D+01 -0.770327D+01  0.915315D+00  0.683695D+01 -0.486460D-01
      5   0.598163D+01  0.770095D+01  0.132386D+01 -0.208619D+01  0.101686D+01
      6   0.241483D+00  0.743739D+01 -0.158660D+01  0.362849D+01 -0.413887D+00
                86            87            88            89            90 
      1  -0.180624D+02  0.102160D+02  0.416363D+01  0.614649D+01  0.177498D+01
      2   0.178969D+02 -0.156968D+02  0.294194D+01 -0.831454D+01  0.529080D+01
      3   0.165552D+00  0.548084D+01 -0.710556D+01  0.216806D+01 -0.706578D+01
      4  -0.110088D+01  0.127319D+01  0.733243D+01  0.335299D+00  0.259932D+01
      5  -0.593218D+01  0.992293D+00 -0.843659D+00  0.411543D+00 -0.300098D+01
      6  -0.145282D+02  0.742033D+01  0.336764D+01  0.369655D+01  0.533334D+01
                91            92            93            94            95 
      1  -0.171194D+01  0.427535D+00 -0.265629D+00  0.349445D+01  0.181508D+02
      2   0.556119D-01 -0.183251D+01 -0.433221D+01 -0.786261D+01 -0.236853D+02
      3   0.165633D+01  0.140498D+01  0.459783D+01  0.436816D+01  0.553448D+01
      4  -0.639298D+01 -0.291162D+01 -0.138385D+02 -0.254275D+01 -0.525016D+01
      5  -0.318586D+01 -0.241393D+01 -0.229532D+01 -0.228321D+01  0.151631D+01
      6  -0.142279D+02 -0.351550D+01 -0.716482D+01 -0.315785D+01  0.293527D+02
                96            97            98            99           100 
      1  -0.160057D+02 -0.166350D+01 -0.222696D+02  0.659247D+01 -0.333386D+01
      2   0.283116D+02 -0.240715D+01  0.333737D+02 -0.107929D+02  0.218908D+00
      3  -0.123059D+02  0.407065D+01 -0.111041D+02  0.420042D+01  0.311495D+01
      4  -0.344333D+01 -0.165925D+02 -0.195221D+01 -0.961940D+01  0.731710D+01
      5   0.142363D+00 -0.297179D+01 -0.253522D+01 -0.477550D+00 -0.715119D+01
      6  -0.117359D+02 -0.100779D+02 -0.166376D+02  0.207432D+01  0.115489D+02
               101           102           103           104           105 
      1  -0.367170D+01 -0.109503D+02 -0.600866D+01  0.116676D+02  0.125156D+02
      2   0.582110D+01  0.981301D+01  0.111682D+02 -0.158905D+02 -0.256047D+02
      3  -0.214940D+01  0.113727D+01 -0.515950D+01  0.422287D+01  0.130891D+02
      4  -0.483537D+01  0.105096D+02 -0.720335D+01  0.128409D+02  0.110563D+02
      5  -0.112332D+01 -0.452997D+01 -0.125400D+01  0.947170D+01  0.184386D+01
      6   0.802260D+01  0.899651D+01  0.806149D+01 -0.266909D+02 -0.954575D+01
               106           107           108           109           110 
      1  -0.144279D+02  0.164501D+02  0.713447D+00 -0.677969D+01  0.272613D+01
      2   0.132394D+02 -0.282530D+02 -0.468336D+01  0.103316D+02 -0.228127D+01
      3   0.118853D+01  0.118029D+02  0.396991D+01 -0.355191D+01 -0.444862D+00
      4   0.112629D+02  0.151019D+02  0.125222D+02  0.321096D+01  0.412230D+01
      5  -0.682855D+01  0.495346D+01  0.209051D+00  0.849444D+01  0.399029D+01
      6   0.124876D+02 -0.122628D+02 -0.230155D+01 -0.331447D+01 -0.625385D+01
               111           112           113           114           115 
      1   0.117065D+02  0.499870D+01 -0.150874D+02 -0.658467D+01  0.873180D+01
      2  -0.554056D+01 -0.777770D+01  0.138557D+02  0.138566D+02 -0.244169D+01
      3  -0.616592D+01  0.277900D+01  0.123169D+01 -0.727194D+01 -0.629011D+01
      4  -0.300784D+01  0.550403D+01 -0.634222D+01 -0.643133D+01 -0.494987D+01
      5  -0.258738D+00  0.408910D+01 -0.884067D+01 -0.317859D+01  0.493319D+00
      6  -0.586118D+01 -0.498979D+01  0.111354D+02  0.587818D+01 -0.429834D+01
               116           117           118           119           120 
      1  -0.320121D+01  0.339529D+01 -0.409774D+01 -0.729639D+01  0.217558D+01
      2   0.729042D+01  0.352817D+01  0.527105D+01  0.656854D+01 -0.309694D+01
      3  -0.408920D+01 -0.692346D+01 -0.117331D+01  0.727851D+00  0.921360D+00
      4  -0.480330D+01 -0.317490D+01 -0.243655D+01  0.399328D+01 -0.933719D-01
      5  -0.127923D+01 -0.169471D+01  0.767036D+00  0.132679D+01  0.698010D+00
      6   0.236986D+01 -0.580578D+01 -0.208082D+01 -0.226717D+01  0.143838D+01
               121           122           123           124           125 
      1  -0.591725D+01 -0.156541D+02  0.680282D+01  0.394359D+01  0.109998D+02
      2   0.169041D+01  0.287821D+02 -0.995677D+01 -0.183868D+01 -0.149401D+02
      3   0.422684D+01 -0.131280D+02  0.315394D+01 -0.210491D+01  0.394025D+01
      4   0.858502D+01 -0.203417D+02  0.553481D+01 -0.259520D+01  0.103060D+02
      5   0.834227D-01  0.681404D+01 -0.629488D+01  0.309430D+01 -0.908880D+01
      6  -0.655427D+00 -0.107870D+02  0.900213D+01 -0.124503D+01  0.124968D+02
               126           127           128           129           130 
      1  -0.647292D+01  0.343574D+02 -0.129627D+02 -0.108433D+02 -0.704245D+01
      2   0.775193D+01 -0.138242D+02  0.930074D+00  0.448595D+01 -0.364370D+01
      3  -0.127900D+01 -0.205332D+02  0.120326D+02  0.635740D+01  0.106862D+02
      4  -0.753344D+01 -0.331147D+02  0.226397D+02  0.137283D+02  0.221637D+02
      5   0.964583D+01 -0.204279D+02  0.111565D+02  0.139348D+02  0.905382D+01
      6  -0.118931D+02  0.106429D+02 -0.683380D+01 -0.697764D+01 -0.756078D+01
               131           132           133           134           135 
      1   0.439734D+01  0.258578D+01 -0.131134D+02  0.573844D+01  0.619938D+01
      2   0.706312D+01  0.109105D+01  0.630481D+01 -0.139864D+01 -0.407785D+01
      3  -0.114605D+02 -0.367683D+01  0.680858D+01 -0.433980D+01 -0.212153D+01
      4  -0.234157D+02 -0.101791D+02  0.191669D+02 -0.150532D+02 -0.158620D+02
      5  -0.901415D+01 -0.735277D+01  0.195518D+02 -0.133565D+02 -0.190024D+02
      6   0.746317D+01  0.764585D+01 -0.111935D+02  0.112792D+02  0.124784D+02
               136           137           138           139           140 
      1   0.227123D+02  0.868249D+01 -0.465894D+01  0.150574D+02  0.752672D+01
      2  -0.130185D+02 -0.451008D+01  0.313547D+01 -0.741729D+01 -0.287850D+01
      3  -0.969384D+01 -0.417241D+01  0.152347D+01 -0.764014D+01 -0.464822D+01
      4   0.794526D+01  0.724857D+01 -0.404081D+01  0.102708D+02  0.186428D+02
      5  -0.559075D+01 -0.420966D+01  0.743201D+01 -0.596343D+01 -0.867830D+01
      6  -0.131499D+01 -0.794601D+00  0.257422D+00 -0.100645D+01 -0.233011D+01
               141           142           143           144           145 
      1  -0.512847D+01 -0.111280D+02 -0.602995D+01  0.833680D+01  0.639860D+02
      2   0.236108D+01  0.692349D+01  0.481759D+01 -0.700670D+01 -0.367579D+02
      3   0.276739D+01  0.420447D+01  0.121235D+01 -0.133010D+01 -0.272280D+02
      4  -0.768631D+01 -0.695054D+01 -0.110165D+02  0.690587D+01 -0.160216D+02
      5   0.778536D+01  0.130785D+02  0.841374D+01 -0.151587D+02  0.289933D+02
      6   0.234251D+01  0.674192D+00  0.253756D+01 -0.149809D+01 -0.618151D+01
               146           147           148           149           150 
      1  -0.670894D+01  0.204417D+02 -0.800133D+01  0.824508D+01 -0.349745D+01
      2   0.272456D+01 -0.133901D+02  0.257787D+01 -0.354682D+01  0.161369D+01
      3   0.398438D+01 -0.705160D+01  0.542346D+01 -0.469826D+01  0.188376D+01
      4   0.101660D+02 -0.604081D+01  0.154787D+02 -0.728027D+01  0.492767D+01
      5  -0.472327D+01  0.181419D+02 -0.571780D+01  0.460567D+01 -0.316517D+01
      6   0.193773D+01 -0.341968D+01  0.395348D+01 -0.199897D+01  0.365906D+01
               151           152           153           154           155 
      1   0.282021D+02 -0.386324D+01  0.168660D+02  0.624548D+01 -0.409907D+01
      2  -0.202512D+02  0.209658D+01 -0.146903D+02  0.175298D+01  0.122999D+02
      3  -0.795089D+01  0.176666D+01 -0.217574D+01 -0.799847D+01 -0.820085D+01
      4  -0.954219D+01  0.433495D+01 -0.530682D+01  0.246197D+02  0.122299D+02
      5   0.276481D+02 -0.319377D+01  0.220297D+02  0.564086D+01  0.188653D+01
      6  -0.528579D+01  0.316498D+01 -0.464757D+01  0.101240D+02  0.446390D+01
               156           157           158           159           160 
      1   0.176443D+01 -0.359516D+01 -0.518369D+01 -0.124462D+01  0.101619D+01
      2   0.141921D+01  0.841456D+01  0.114482D+02  0.213788D+01  0.130980D+01
      3  -0.318363D+01 -0.481940D+01 -0.626453D+01 -0.893264D+00 -0.232599D+01
      4   0.986147D+01  0.730265D+01  0.102896D+02  0.313141D+01  0.147985D+02
      5   0.483261D+01  0.112599D+01  0.184186D+01  0.950060D+00  0.568164D+01
      6   0.860481D+01  0.255395D+01  0.319138D+01  0.489569D+01  0.106045D+02
               161           162           163           164           165 
      1  -0.257019D+01 -0.232691D+01 -0.448831D+01  0.419656D+00  0.151445D+00
      2   0.636324D+01  0.363959D+01  0.846277D+01  0.678743D+00 -0.245446D+00
      3  -0.379305D+01 -0.131268D+01 -0.397446D+01 -0.109840D+01  0.940003D-01
      4   0.707575D+01  0.994495D+01  0.220279D+01  0.136251D+02 -0.397992D+01
      5   0.272715D+01  0.551608D+01 -0.205125D+00 -0.279991D+01  0.303963D+01
      6   0.999076D+01  0.143771D+02 -0.399325D+01 -0.630228D+00  0.116404D+01
               166           167           168           169           170 
      1  -0.199968D+01 -0.397682D+02  0.144964D+02  0.199570D+01  0.220852D+02
      2   0.448261D+01  0.676422D+02 -0.217244D+02 -0.239762D+01 -0.302944D+02
      3  -0.248292D+01 -0.278741D+02  0.722803D+01  0.401918D+00  0.820918D+01
      4   0.907813D+01  0.660014D+01 -0.247479D+01 -0.328555D+01 -0.340593D+01
      5  -0.104686D+01 -0.797605D+00  0.716134D+00  0.274049D+01  0.154522D+01
      6  -0.199106D+01 -0.306375D+02  0.186866D+02  0.367611D+01  0.281464D+02
               171           172           173           174           175 
      1  -0.151789D+02  0.176459D+02  0.160493D+01  0.645607D+01  0.375964D+01
      2   0.173790D+02 -0.668012D+01 -0.855949D+01 -0.329831D+01 -0.738420D+01
      3  -0.220008D+01 -0.109658D+02  0.695456D+01 -0.315776D+01  0.362456D+01
      4   0.350514D+01 -0.255220D+02  0.113328D+02 -0.888897D+01  0.594169D+01
      5  -0.130211D+01  0.866040D+01 -0.118836D+01  0.710030D+01 -0.147869D+00
      6  -0.223909D+02 -0.927215D+01  0.181134D+01 -0.792805D+01  0.417048D+00
               176           177           178           179           180 
      1   0.950343D+00  0.114605D+01  0.835356D+01  0.568712D+00  0.281958D+01
      2   0.250280D+01 -0.122938D+01 -0.513300D+01 -0.360825D+01 -0.151717D+01
      3  -0.345315D+01  0.833288D-01 -0.322056D+01  0.303954D+01 -0.130241D+01
      4  -0.799787D+01  0.129806D+01 -0.147180D+02  0.474463D+01 -0.101019D+02
      5   0.180703D+01 -0.470145D+00  0.914496D+01 -0.295588D+01  0.887706D+01
      6  -0.151206D+01  0.266672D+01 -0.107229D+02  0.651542D+01 -0.123691D+02
               181           182           183           184           185 
      1  -0.190086D+01  0.428656D+00  0.116503D+01  0.448802D+01 -0.302870D+02
      2   0.831555D+01 -0.736336D+01 -0.309062D+01 -0.127333D+02  0.558905D+02
      3  -0.641469D+01  0.693470D+01  0.192559D+01  0.824533D+01 -0.256035D+02
      4  -0.119733D+02  0.172805D+02  0.606723D+01  0.149493D+02 -0.253983D+02
      5  -0.265982D+01  0.436363D+01  0.448141D+01  0.307871D+01 -0.706308D+01
      6   0.564869D+01 -0.626754D+01 -0.491975D+01 -0.798595D+01  0.274156D+02
               186           187           188           189           190 
      1  -0.110364D+02  0.440108D+01 -0.162912D+02 -0.113065D+02  0.318227D+02
      2   0.180614D+02 -0.681895D+01  0.240113D+02  0.134850D+02 -0.192294D+02
      3  -0.702506D+01  0.241786D+01 -0.772018D+01 -0.217841D+01 -0.125932D+02
      4  -0.992268D+01  0.773093D+01 -0.141613D+02 -0.110380D+02 -0.691849D+00
      5  -0.448799D+01  0.564303D+01 -0.743094D+01 -0.696374D+01 -0.901425D+01
      6   0.172847D+02 -0.955777D+01  0.250604D+02  0.213118D+02 -0.449554D+00
               191           192           193           194           195 
      1  -0.730910D+01 -0.852599D+01 -0.141285D+02  0.928629D+01  0.640209D+01
      2   0.512011D+01  0.610650D+01  0.872353D+01 -0.729593D+01 -0.423077D+01
      3   0.218899D+01  0.241949D+01  0.540499D+01 -0.199036D+01 -0.217132D+01
      4   0.622082D+01  0.247607D+01  0.694169D+01 -0.114156D+02 -0.435496D+01
      5   0.416725D+01  0.891176D+01  0.602591D+01 -0.633552D+01 -0.601625D+01
      6   0.115971D+00  0.142446D+01  0.428888D+00  0.277654D+00  0.696952D+00
               196           197           198           199           200 
      1  -0.155549D+02  0.674232D+01  0.106108D+02  0.469658D+02  0.123245D+02
      2   0.112037D+02 -0.664927D+01 -0.934194D+01 -0.233147D+02 -0.343780D+01
      3   0.435114D+01 -0.930488D-01 -0.126890D+01 -0.236512D+02 -0.888674D+01
      4   0.319879D+01 -0.621405D+01 -0.234484D+01  0.301973D+02  0.165813D+02
      5   0.145234D+02 -0.528973D+01 -0.151669D+02  0.230975D+02  0.908417D+01
      6   0.247707D+01  0.976439D+00 -0.241576D+01  0.106468D+02  0.502247D+01
               201           202           203           204           205 
      1   0.147219D+02  0.108777D+02  0.699104D+01  0.447495D+01  0.194414D+02
      2  -0.829684D+01 -0.557678D+00  0.140338D+01 -0.940135D+00 -0.122334D+02
      3  -0.642503D+01 -0.103200D+02 -0.839442D+01 -0.353482D+01 -0.720805D+01
      4   0.117113D+02  0.214307D+02  0.176800D+02  0.864528D+01  0.180640D+02
      5   0.154911D+02  0.931756D+01  0.736904D+01  0.608589D+01  0.239863D+02
      6   0.647141D+01  0.712493D+01  0.575122D+01  0.609626D+01  0.106777D+02
               206           207           208           209           210 
      1   0.638793D+01  0.122099D+02 -0.735209D+01  0.835062D+01  0.382170D+01
      2  -0.274366D+01 -0.100871D+02  0.797744D+01 -0.108349D+02 -0.541455D+01
      3  -0.364427D+01 -0.212282D+01 -0.625356D+00  0.248424D+01  0.159285D+01
      4   0.100791D+02  0.123486D+02 -0.384350D+01  0.412841D+01  0.121689D+01
      5   0.863626D+01  0.202739D+02  0.636213D+00 -0.149850D+01  0.686865D-01
      6   0.677502D+01  0.101378D+02  0.367317D+01 -0.457897D+01 -0.367001D+01
               211           212           213           214           215 
      1   0.509892D+01 -0.205779D+02 -0.764887D+01  0.581100D+01 -0.130898D+02
      2  -0.420492D+01  0.343159D+02  0.104916D+02 -0.479394D+01  0.172889D+02
      3  -0.893996D+00 -0.137381D+02 -0.284277D+01 -0.101706D+01 -0.419910D+01
      4   0.635550D+01  0.105189D+02  0.118087D+01  0.286712D+01  0.334011D+01
      5  -0.671816D+00  0.349895D+01  0.384280D+01  0.114312D+01  0.612923D+01
      6  -0.276307D+01  0.108008D+02  0.951996D+01 -0.168022D+01  0.143354D+02
               216           217           218           219           220 
      1  -0.921043D+01  0.145496D+02  0.667467D+01 -0.372120D+01  0.127535D+01
      2   0.104495D+02 -0.977757D-01  0.608908D+01 -0.130614D+01  0.101523D+02
      3  -0.123907D+01 -0.144518D+02 -0.127638D+02  0.502734D+01 -0.114277D+02
      4   0.307184D+01  0.288191D+02  0.252719D+02 -0.126107D+02  0.222735D+02
      5   0.632301D+01 -0.124400D+02 -0.102587D+02  0.993837D+01 -0.806821D+01
      6   0.139210D+02 -0.102780D+02 -0.934802D+01  0.755428D+01 -0.963020D+01
               221           222           223           224           225 
      1  -0.660359D+01  0.189741D+01 -0.276004D+01  0.159308D+01 -0.227041D+01
      2   0.244125D+02 -0.704217D+01 -0.237440D+01 -0.718565D+01  0.428004D+01
      3  -0.178089D+02  0.514476D+01  0.513444D+01  0.559257D+01 -0.200963D+01
      4   0.319866D+02 -0.128115D+02 -0.162686D+02 -0.190983D+02  0.160182D+02
      5  -0.114151D+02  0.794038D+01  0.126670D+02  0.134487D+02 -0.149919D+02
      6  -0.146981D+02  0.115825D+02  0.113670D+02  0.175490D+02 -0.166867D+02
               226           227           228           229           230 
      1  -0.537696D+01  0.893390D+01 -0.653105D+01  0.599711D+01 -0.130884D+02
      2   0.477422D+01 -0.874981D+01  0.415162D+01 -0.499279D+01  0.169022D+02
      3   0.602741D+00 -0.184089D+00  0.237943D+01 -0.100432D+01 -0.381381D+01
      4  -0.102418D+02  0.207531D+01 -0.179184D+01  0.661245D+01 -0.456858D+01
      5   0.347707D+01 -0.181708D+01  0.115783D+01 -0.172671D+01  0.199498D+01
      6  -0.405712D+01  0.116757D+02 -0.820102D+01  0.554887D+01 -0.123022D+02
               231           232           233           234           235 
      1   0.725341D+01 -0.284083D+01  0.549870D+01 -0.690879D+01  0.162524D+01
      2  -0.590191D+01  0.162646D+01 -0.232553D+01  0.122568D+01 -0.462348D+01
      3  -0.135151D+01  0.121436D+01 -0.317316D+01  0.568310D+01  0.299824D+01
      4   0.331916D+01 -0.903860D+00  0.425444D+01 -0.326423D+01  0.268313D+01
      5  -0.648488D+00  0.198922D+01 -0.108169D+01  0.337876D+00 -0.608367D+01
      6   0.890964D+01 -0.445158D+01  0.692528D+01 -0.845142D+01 -0.201404D+01
               236           237           238           239           240 
      1   0.373751D+00 -0.644832D+00 -0.159786D+00  0.232688D+00 -0.116500D+01
      2   0.766744D+00  0.663028D+01  0.138372D+01 -0.404304D+01 -0.560756D+01
      3  -0.114049D+01 -0.598545D+01 -0.122393D+01  0.381035D+01  0.677256D+01
      4   0.233973D+01 -0.137997D+01 -0.233805D+01 -0.579756D+01  0.116728D+01
      5  -0.146411D+00  0.859336D+01  0.216082D+01  0.136108D+00 -0.430180D+01
      6   0.984880D-01  0.288738D+01  0.224683D+01  0.275003D+01 -0.683516D+00
               241           242           243           244           245 
      1   0.352325D+00  0.212400D+01 -0.105574D+02  0.967632D+01 -0.380331D+01
      2   0.499672D+01 -0.268160D+01 -0.170527D+02 -0.574724D+01  0.360027D+01
      3  -0.534904D+01  0.557598D+00  0.276101D+02 -0.392907D+01  0.203044D+00
      4  -0.285690D+01 -0.250975D+01  0.207298D+00 -0.792489D+01  0.755407D+01
      5   0.675816D+01  0.449029D+00 -0.152013D+02  0.665033D+01 -0.601533D+01
      6   0.249188D+01  0.429997D+01 -0.127326D+02 -0.316702D+01  0.279078D+01
               246           247           248           249           250 
      1   0.246019D+01 -0.929433D+01  0.170284D+01 -0.325201D+01 -0.739182D+00
      2  -0.312679D+01  0.833468D+01 -0.230131D+01  0.589625D+01 -0.201106D+01
      3   0.666595D+00  0.959648D+00  0.598469D+00 -0.264424D+01  0.275025D+01
      4  -0.494710D+01  0.535511D+01 -0.150646D+02  0.575290D+01 -0.495107D+01
      5   0.603558D+01 -0.117914D+02  0.758665D+01 -0.954981D+01  0.502246D+01
      6  -0.207917D+01  0.445129D+01 -0.656137D+01  0.393542D+01 -0.193779D+01
               251           252           253           254           255 
      1  -0.718837D+00 -0.101023D+01 -0.585771D+01  0.918115D+00  0.311978D+01
      2   0.271559D+01 -0.458207D+01  0.265143D+01  0.284216D+00  0.176012D+01
      3  -0.199675D+01  0.559230D+01  0.320628D+01 -0.120233D+01 -0.487989D+01
      4   0.328153D+01 -0.485947D+01 -0.340991D+01 -0.347214D+00 -0.117482D+01
      5  -0.526754D+01  0.791959D+01 -0.278025D+01 -0.891338D+00 -0.263887D+00
      6   0.366635D+01 -0.257720D+01  0.618608D+00 -0.140881D+00 -0.176861D+01
               256           257           258           259           260 
      1   0.282900D+01 -0.362369D+01 -0.647845D+01  0.275219D+01 -0.401233D+01
      2  -0.161989D+01 -0.500700D-01 -0.111680D+01 -0.358723D+01 -0.126989D+01
      3  -0.120912D+01  0.367376D+01  0.759525D+01  0.835044D+00  0.528222D+01
      4   0.403249D+01  0.356758D+01  0.353269D+01  0.192300D+01  0.325095D+01
      5   0.177440D+01  0.385948D+01  0.539852D+01  0.530997D+01  0.292349D+01
      6   0.148383D+01  0.539754D+01  0.840295D+01  0.873887D+00  0.584765D+01
               261           262           263           264           265 
      1  -0.165212D+02  0.188826D+02  0.336503D+01 -0.629042D+01  0.150506D+01
      2  -0.111718D+02 -0.166884D+02 -0.606630D+01  0.866138D+01 -0.341896D+01
      3   0.276930D+02 -0.219420D+01  0.270127D+01 -0.237096D+01  0.191390D+01
      4   0.183268D+01 -0.113475D+02  0.541255D+01  0.528350D+01  0.145251D+00
      5   0.163498D+02 -0.172637D+02  0.119791D+01  0.107748D+02 -0.423775D+01
      6   0.112816D+02  0.542168D+01 -0.239199D+01 -0.487204D+01  0.641034D+00
               266           267           268           269           270 
      1   0.552218D+01  0.101154D+00 -0.420420D+01  0.932661D+00  0.207728D+01
      2  -0.453010D+01  0.127137D+01  0.758982D+01 -0.149830D+01 -0.776166D+01
      3  -0.992085D+00 -0.137253D+01 -0.338562D+01  0.565638D+00  0.568438D+01
      4   0.131572D+01  0.127623D+01  0.168828D+01  0.756479D+00 -0.182762D+01
      5   0.424281D+00  0.272192D+01  0.798979D+01  0.100584D+01 -0.744617D+01
      6  -0.212288D+01 -0.823664D+00 -0.236437D+01  0.714886D+00  0.385729D+01
               271           272           273           274           275 
      1  -0.573588D+00 -0.582213D+01 -0.780181D+01 -0.139427D+01 -0.290269D+01
      2  -0.409958D+01  0.554832D+01 -0.107665D+01  0.124606D+01  0.585789D+00
      3   0.467317D+01  0.273809D+00  0.887845D+01  0.148210D+00  0.231690D+01
      4   0.429960D+01 -0.216481D+01  0.242500D+01 -0.299563D+00  0.184675D+01
      5   0.163533D+01 -0.103107D+01  0.227119D+01 -0.323718D+00  0.191543D+01
      6   0.172587D+01  0.563273D+01  0.798642D+01  0.249389D+01  0.321501D+01
               276           277           278           279           280 
      1  -0.253933D+01 -0.251075D+01 -0.594383D+01 -0.156975D+02  0.122813D+02
      2   0.790622D+00 -0.590939D+00  0.153910D+01 -0.119823D+02 -0.112560D+02
      3   0.174871D+01  0.310169D+01  0.440473D+01  0.276798D+02 -0.102526D+01
      4   0.139146D+01  0.320189D+01 -0.122665D+01  0.264570D+01  0.171191D+02
      5   0.749080D+00  0.366163D+01 -0.736067D+00 -0.350289D+01 -0.151013D+02
      6   0.576416D+01  0.126832D+01  0.755208D+01  0.196343D+02 -0.860458D+01
               281           282           283           284           285 
      1  -0.365908D+01 -0.242685D+01  0.471719D+00  0.417132D+01 -0.142268D+01
      2   0.635055D+01  0.502052D+01  0.139421D+01 -0.201433D+01  0.691679D+00
      3  -0.269147D+01 -0.259367D+01 -0.186593D+01 -0.215699D+01  0.731003D+00
      4   0.654528D+01 -0.830994D+01  0.318279D+01  0.285345D+01 -0.867621D+00
      5  -0.447101D+01  0.941780D+01 -0.113460D+00 -0.400262D+00  0.966630D-01
      6  -0.545651D+01  0.754213D+01 -0.125261D+01  0.102162D+01  0.564350D+00
               286           287           288           289           290 
      1  -0.227063D+01 -0.170491D+01  0.504674D+00 -0.752885D+00  0.629437D+01
      2   0.537531D+01  0.312014D+01 -0.619271D+01 -0.387986D+01 -0.668155D+01
      3  -0.310468D+01 -0.141523D+01  0.568804D+01  0.463274D+01  0.387179D+00
      4  -0.429674D+01 -0.117740D+01  0.410626D+01 -0.311033D+01  0.739841D+00
      5   0.725275D+01  0.793329D+00 -0.633546D+01  0.222406D+01 -0.589968D+00
      6   0.414804D+01  0.163256D+01 -0.570037D+01 -0.341598D+01  0.536960D+01
               291           292           293           294           295 
      1  -0.626556D+01  0.161469D+01  0.803540D-01  0.177333D+00 -0.230313D+01
      2  -0.264642D+01 -0.204314D+01 -0.252928D+01 -0.708306D+00 -0.180786D+01
      3   0.891199D+01  0.428455D+00  0.244892D+01  0.530973D+00  0.411099D+01
      4  -0.415881D+01  0.202625D+00 -0.210894D+01  0.100844D+01 -0.332235D+01
      5   0.467807D+01 -0.464889D+00  0.240529D+01 -0.101981D+01  0.405846D+01
      6  -0.812140D+01  0.226835D+01 -0.755770D+00  0.353132D+01 -0.218859D+01
               296           297           298           299           300 
      1   0.559919D+01 -0.140870D+02  0.276843D+01  0.191547D+01 -0.313183D+00
      2  -0.223223D+01 -0.135989D+02  0.499514D+00 -0.768745D+00  0.292758D+00
      3  -0.336696D+01  0.276859D+02 -0.326794D+01 -0.114673D+01  0.204252D-01
      4  -0.108263D+00 -0.318465D+01  0.654172D+01  0.645189D+01  0.369239D+01
      5  -0.160239D+00  0.157416D+01  0.189954D+01  0.415242D+01  0.313121D+01
      6   0.710433D+01 -0.198315D+02  0.211669D+01  0.264753D+01  0.184692D+01
               301           302           303           304           305 
      1   0.804330D+01 -0.401787D+01 -0.150337D+00 -0.284351D+01 -0.180241D+01
      2  -0.604895D+01  0.398214D+01 -0.261934D+01  0.650994D+00 -0.826968D+00
      3  -0.199435D+01  0.357280D-01  0.276968D+01  0.219252D+01  0.262938D+01
      4   0.701565D+01  0.181590D+02  0.846373D+01  0.363893D+01  0.480881D+01
      5   0.941448D+01  0.941708D+01  0.940810D+01  0.332129D+01  0.523089D+01
      6   0.573650D+01  0.108137D+02  0.697097D+01  0.187700D+01  0.562964D+01
               306           307           308           309           310 
      1  -0.363657D+01 -0.546201D+01 -0.168622D+01  0.132239D+01 -0.542187D+01
      2  -0.202976D+01  0.273124D+01  0.741874D+00  0.153818D+01  0.455388D+01
      3   0.566633D+01  0.273078D+01  0.944346D+00 -0.286057D+01  0.867987D+00
      4   0.517549D+01  0.106719D+00  0.549839D+00  0.162738D+00  0.338468D+01
      5   0.714698D+01 -0.173823D+01 -0.927416D+00  0.114800D+01 -0.395102D+01
      6   0.454192D+01 -0.182001D+01  0.694690D+00 -0.942097D-01  0.161619D+01
               311           312           313           314           315 
      1  -0.333386D+01  0.484989D+01  0.256038D+01  0.299812D+01 -0.152569D+02
      2  -0.959661D+00  0.371355D+01 -0.475147D+01  0.190762D+01 -0.124073D+02
      3   0.429352D+01 -0.856344D+01  0.219108D+01 -0.490574D+01  0.276643D+02
      4  -0.313589D+01  0.462498D+01 -0.106670D+01  0.340915D+01 -0.292640D+01
      5   0.432965D+01 -0.728257D+01  0.627406D+01 -0.282635D+01  0.186459D+02
      6  -0.382304D+01  0.695288D+01 -0.793083D+00  0.487849D+01 -0.680181D+01
               316           317           318           319           320 
      1  -0.566974D+01 -0.686928D+01 -0.443574D+01 -0.648645D+01 -0.174117D+02
      2   0.566914D+01  0.559186D+01  0.254157D+01  0.440662D+01  0.206363D+02
      3   0.596321D-03  0.127742D+01  0.189417D+01  0.207983D+01 -0.322462D+01
      4   0.548738D+01 -0.162386D+00 -0.879219D+00  0.526795D+01 -0.255219D+01
      5   0.239299D+01 -0.265566D+00 -0.511853D+00  0.113834D+01 -0.112982D+01
      6   0.109231D+01  0.879919D+01  0.568308D+01  0.293139D+01  0.161956D+02
               321           322           323           324           325 
      1  -0.953569D+01 -0.997139D+00 -0.756856D+01 -0.792504D+01  0.224342D+01
      2   0.762145D+01  0.700017D+00  0.420947D+01  0.233909D+01 -0.474851D+01
      3   0.191424D+01  0.297122D+00  0.335909D+01  0.558595D+01  0.250509D+01
      4  -0.476056D+00 -0.739150D+00  0.170263D+01  0.793284D+00 -0.519153D+00
      5  -0.176541D+01  0.906730D+00 -0.471932D+00 -0.175810D+01 -0.537538D+01
      6   0.105648D+02  0.278131D+01  0.788539D+01  0.821398D+01 -0.109836D+00
               326           327           328           329           330 
      1  -0.208017D+00 -0.110730D+01  0.252497D+01 -0.264856D+01  0.638120D+00
      2  -0.586384D+00  0.515370D+01 -0.336924D+01 -0.172110D+01  0.741243D+01
      3   0.794401D+00 -0.404640D+01  0.844271D+00  0.436966D+01 -0.805055D+01
      4   0.532167D+00 -0.469160D+00 -0.329261D+01  0.569804D+01 -0.312278D+00
      5  -0.143267D+01  0.772640D+01 -0.419804D+01 -0.348420D+00  0.643315D+01
      6   0.687620D+00 -0.741435D+00  0.217543D+01 -0.194489D+01  0.344755D+00
               331           332           333 
      1  -0.611699D+00 -0.736879D+00 -0.109110D+02
      2   0.564420D+01  0.260320D+01 -0.167626D+02
      3  -0.503250D+01 -0.186632D+01  0.276736D+02
      4   0.221116D+01 -0.293423D+01  0.139900D+01
      5   0.738352D+01  0.313751D+00 -0.179845D+02
      6  -0.171031D+01  0.376297D+01  0.848785D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.157039D-03      0.399154D-03      0.133143D-02
   y          0.284774D-03      0.723822D-03      0.241441D-02
   z         -0.733540D-04     -0.186447D-03     -0.621921D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.150650D+03      0.223241D+02      0.248389D+02
   yx        -0.245137D-02     -0.363255D-03     -0.404176D-03
   yy         0.150603D+03      0.223171D+02      0.248311D+02
   zx         0.166888D-03      0.247302D-04      0.275160D-04
   zy         0.306928D-02      0.454821D-03      0.506056D-03
   zz         0.117003D+03      0.173381D+02      0.192912D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.142115D+03      0.210593D+02      0.234316D+02
   aniso      0.337425D+02      0.500012D+01      0.556339D+01
   xx         0.153393D+03      0.227305D+02      0.252910D+02
   yx        -0.183319D-01     -0.271651D-02     -0.302252D-02
   yy         0.153332D+03      0.227215D+02      0.252811D+02
   zx         0.246663D-01      0.365517D-02      0.406692D-02
   zy         0.148496D-01      0.220048D-02      0.244836D-02
   zz         0.119620D+03      0.177259D+02      0.197227D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.18798152         -0.00184275         -5.51146243
     6         -3.72640228         -0.19923533         -4.22563861
     7         -3.52290181          0.97941785         -1.64512882
    45          0.00040412          0.00028466         -0.00035158
     7          0.78649380         -1.08984591         -3.77735185
     7          3.70039698         -0.79903629          1.32048079
     6          5.13301939          1.63404133          1.66271549
     6          4.48954954          3.37305603         -0.50471234
     7          1.65866978          3.58767711         -0.67680213
     7         -1.14831049          0.90113696          3.73324954
     6         -1.68879245         -1.49585121          5.16549533
     6         -3.02196561         -3.31186299          3.41598836
     7         -1.47368787         -3.57909706          1.04501489
     1          5.18220702          2.62486591         -2.29564746
     1          5.33815209          5.23337163         -0.24746241
     1          4.57622572          2.45310707          3.47003126
     1          7.15942615          1.26976940          1.75233530
     1          0.10717198         -2.26770413          5.81811457
     1         -2.82767459         -1.09528283          6.83569427
     1         -4.88466663         -2.60791404          2.88487667
     1         -3.29210255         -5.14884561          4.31018309
     1         -4.29222612         -2.16622872         -3.98522884
     1         -5.19725764          0.73208870         -5.32847890
     1         -0.69154590          1.96204175         -5.89037040
     1         -1.18590047         -0.99472601         -7.31735772
     1          2.52699870         -0.57449175         -4.42282341
     1          0.76120691         -3.01075989         -3.94159914
     1         -5.06716645          0.47209746         -0.61098411
     1         -3.67271322          2.89307837         -1.82699598
     1         -2.55138757         -4.43507703         -0.30312001
     1         -0.04149736         -4.82583242          1.37987212
     1          0.11729899          1.94945706          4.73863608
     1         -2.74840985          1.97650095          3.70375727
     1          3.77284177         -1.79554131          2.96768836
     1          4.64633062         -1.89861806          0.05008711
     1          1.20129795          4.38386451         -2.37043365
     1          1.05598405          4.86633085          0.63452049

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.333374D-03      0.847352D-03      0.282646D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.143180D+03      0.212170D+02      0.236071D+02
   yx         0.135343D+02      0.200558D+01      0.223151D+01
   yy         0.126093D+03      0.186851D+02      0.207900D+02
   zx         0.350097D+01      0.518790D+00      0.577232D+00
   zy        -0.631037D+01     -0.935100D+00     -0.104044D+01
   zz         0.148984D+03      0.220771D+02      0.245641D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.142115D+03      0.210593D+02      0.234316D+02
   aniso      0.337425D+02      0.500012D+01      0.556339D+01
   xx         0.145916D+03      0.216226D+02      0.240583D+02
   yx         0.135777D+02      0.201200D+01      0.223866D+01
   yy         0.128741D+03      0.190774D+02      0.212265D+02
   zx         0.351572D+01      0.520976D+00      0.579664D+00
   zy        -0.634998D+01     -0.940970D+00     -0.104697D+01
   zz         0.151688D+03      0.224778D+02      0.250100D+02

 ----------------------------------------------------------------------
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 YE HAVE SOWN MUCH, AND BRING IN LITTLE.
 YE EAT, BUT YE HAVE NOT ENOUGH.
 YE DRINK, BUT YE ARE NOT FILLED WITH DRINK.
 YE CLOTHE YOU, BUT THERE IS NONE WARM.
 AND HE THAT EARNETH WAGES EARNETH WAGES TO PUT
 IT INTO A BAG WITH HOLES.
                                     HAGGAI I,6
 Job cpu time:       1 days  1 hours 55 minutes 17.4 seconds.
 Elapsed time:       0 days  1 hours 37 minutes 21.7 seconds.
 File lengths (MBytes):  RWF=    642 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 19:09:30 2021.
